UCSF

ZINC34985420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.96 4.15 -4.47 2 2 0 28 220.703 0
Mid Mid (pH 6-8) 2.96 5.54 -46.35 3 2 1 32 221.711 0

Activity (Go SEA)

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