UCSF

ZINC38255049

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 18 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) 3.88 8.14 -3.18 1 1 0 12 237.346 2
Mid Mid (pH 6-8) 3.88 9.41 -37.47 2 1 1 17 238.354 2

Activity (Go SEA)

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