UCSF

ZINC12796007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 28 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) 2.85 6.57 -46.53 3 7 1 79 423.324 5
Mid Mid (pH 6-8) 2.85 4.1 -13.16 2 7 0 78 422.316 5

Activity (Go SEA)

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