UCSF

ZINC37049283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.57 2.65 -95.31 5 5 2 64 272.437 9
Mid Mid (pH 6-8) 0.57 2.58 -88.55 5 5 2 64 272.437 9
Mid Mid (pH 6-8) 0.57 0.39 -47.86 4 5 1 63 271.429 9

Activity (Go SEA)

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