UCSF

ZINC48953584

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 19 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) 1.62 4.4 -44.61 3 3 1 40 267.368 6
Mid Mid (pH 6-8) 1.62 6.05 -131.23 4 3 2 41 268.376 6

Activity (Go SEA)

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