UCSF

ZINC42913300

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 1.29 3.45 -40.06 3 2 1 31 197.277 3
Mid Mid (pH 6-8) 1.29 5.29 -121.7 4 2 2 32 198.285 3
Mid Mid (pH 6-8) 1.29 4.87 -34.34 3 2 1 30 197.277 3

Activity (Go SEA)

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