UCSF

ZINC42176557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 4.34 5.8 -38.34 3 2 1 37 275.199 3
Mid Mid (pH 6-8) 4.34 6.55 -25.7 2 2 0 40 274.191 3

Activity (Go SEA)

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