UCSF

ZINC40852266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 17 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) 2.04 4.92 -44.26 4 3 1 57 255.769 4
Hi High (pH 8-9.5) 2.04 4.09 -6.88 3 3 0 55 254.761 4

Activity (Go SEA)

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