UCSF

ZINC44676742

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.37 7.15 -37.34 2 1 1 17 198.236 4
Mid Mid (pH 6-8) 2.37 5.84 -4.87 1 1 0 12 197.228 4

Activity (Go SEA)

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