UCSF

ZINC33932674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 29 No

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) 2.20 6.88 -15.22 1 6 0 64 498.468 8
Mid Mid (pH 6-8) 2.20 9.15 -49.79 2 6 1 65 499.476 8

Activity (Go SEA)

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