UCSF

ZINC33875423

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 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) -1.44 4.25 -97.48 4 5 2 65 284.429 3
Mid Mid (pH 6-8) -1.44 3.91 -40.23 3 5 1 64 283.421 3

Activity (Go SEA)

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