UCSF

ZINC42449413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.14 4.84 -14.2 0 5 0 74 281.381 7
Lo Low (pH 4.5-6) 1.14 5.29 -46.54 1 5 1 75 282.389 7

Activity (Go SEA)

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