UCSF

ZINC36995371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 2.93 6.89 -7.87 1 4 0 39 273.38 6
Lo Low (pH 4.5-6) 2.93 7.02 -30.89 2 4 1 40 274.388 6

Activity (Go SEA)

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