UCSF

ZINC34869726

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 5.52 8.37 -46.25 0 6 -1 86 478.015 7
Mid Mid (pH 6-8) 5.52 8.13 -15.82 1 6 0 84 479.023 7

Activity (Go SEA)

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