UCSF

ZINC31992538

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.00 5.5 -8.15 2 3 0 44 187.246 2
Mid Mid (pH 6-8) 1.00 5.99 -31.53 3 3 1 45 188.254 2

Activity (Go SEA)

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