UCSF

ZINC42409164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) -0.12 3.13 -42.09 2 3 1 44 170.28 7
Lo Low (pH 4.5-6) -0.12 5.48 -114.18 3 3 2 45 171.288 7

Activity (Go SEA)

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