UCSF

ZINC37776876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 4.03 4.9 -39.37 4 3 1 57 286.395 5
Mid Mid (pH 6-8) 4.03 4.15 -5.15 3 3 0 52 285.387 5

Activity (Go SEA)

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