UCSF

ZINC45619953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.94 4.99 -31.79 2 3 1 28 255.426 5
Lo Low (pH 4.5-6) 1.94 5.05 -35.4 2 3 1 28 255.426 5
Lo Low (pH 4.5-6) 1.94 7.24 -99.38 3 3 2 29 256.434 5

Activity (Go SEA)

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