UCSF

ZINC34824214

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 0.95 8.2 -96.16 3 5 2 42 279.432 5
Mid Mid (pH 6-8) 0.95 5.97 -36.28 2 5 1 41 278.424 5

Activity (Go SEA)

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