UCSF

ZINC40692251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 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) 2.27 3.61 -8.38 0 4 0 41 345.262 3
Mid Mid (pH 6-8) 2.27 5.99 -39.06 1 4 1 42 346.27 3

Activity (Go SEA)

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