UCSF

ZINC06162356

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 38 No

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Annotations

None

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) 5.23 0 -13.73 1 8 0 103 521.61 10
Mid Mid (pH 6-8) 5.23 -0.28 -18.29 1 8 0 103 521.61 10
Mid Mid (pH 6-8) 5.41 -1.2 -15.82 1 8 0 103 521.61 10

Activity (Go SEA)

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