UCSF

ZINC34677139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 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) 0.52 0.2 -46.42 3 8 1 92 369.486 10
Mid Mid (pH 6-8) 0.52 -2.09 -10.77 2 8 0 91 368.478 10

Activity (Go SEA)

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