UCSF

ZINC41042151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) 1.46 2.35 -38.22 3 2 1 31 173.324 5
Mid Mid (pH 6-8) 1.46 4.53 -26.5 3 2 1 30 173.324 5
Mid Mid (pH 6-8) 1.46 4.27 -102.7 4 2 2 32 174.332 5

Activity (Go SEA)

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