UCSF

ZINC37029254

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 2.32 4.26 -46.39 4 3 1 57 319.166 3
Hi High (pH 8-9.5) 2.32 3.95 -6.05 3 3 0 55 318.158 3

Activity (Go SEA)

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