UCSF

ZINC34459174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 No

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Annotations

Vendors

    None

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) -0.34 -0.31 -53.05 5 5 1 86 220.252 3
Mid Mid (pH 6-8) -0.16 -2.95 -57.72 4 5 0 92 219.244 3

Activity (Go SEA)

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