UCSF

ZINC42740584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 0.84 3.78 -95.23 4 3 2 35 217.401 9
Mid Mid (pH 6-8) 0.84 4.82 -84.82 4 3 2 35 217.401 9
Mid Mid (pH 6-8) 0.84 6.26 -179.53 5 3 3 37 218.409 9

Activity (Go SEA)

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