UCSF

ZINC37140584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.69 0.73 -41.28 4 4 1 63 214.333 6
Mid Mid (pH 6-8) 0.69 2.92 -104.54 5 4 2 64 215.341 6

Activity (Go SEA)

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