UCSF

ZINC45660315

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 0.73 0.97 -29.8 3 3 1 37 187.307 4
Lo Low (pH 4.5-6) 0.73 2.16 -99.47 4 3 2 41 188.315 4

Activity (Go SEA)

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