UCSF

ZINC23620148

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 31 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) 3.74 10.79 -87.37 4 5 2 60 422.569 12
Hi High (pH 8-9.5) 3.74 9.31 -40.1 3 5 1 55 421.561 12

Activity (Go SEA)

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