UCSF

ZINC42546458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 10 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) -0.38 -2.04 -35.1 3 3 1 40 145.226 3
Lo Low (pH 4.5-6) -0.38 0.54 -99.9 4 3 2 41 146.234 3

Activity (Go SEA)

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