UCSF

ZINC41786259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 1.91 5.4 -8.68 0 5 0 57 252.343 5
Mid Mid (pH 6-8) 1.91 5.74 -35.09 1 5 1 58 253.351 5

Activity (Go SEA)

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