UCSF

ZINC39884097

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 No

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.07 3.36 -21.62 3 11 0 152 504.546 3
Mid Mid (pH 6-8) -0.17 1.97 -53.78 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2 -51.7 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2.08 -51.76 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2.85 -69.18 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2.92 -69.21 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2.06 -56.39 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 2.15 -56.34 2 11 -1 156 503.538 4
Mid Mid (pH 6-8) -0.17 1.88 -54 2 11 -1 156 503.538 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )