UCSF

ZINC15511664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2008 31 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) 4.66 6.33 -57.39 1 6 -1 87 453.393 7
Mid Mid (pH 6-8) 4.66 6.23 -19.33 2 6 0 85 454.401 7

Activity (Go SEA)

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