UCSF

ZINC43915301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 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) 1.31 4.39 -98.97 3 3 2 30 190.331 7
Mid Mid (pH 6-8) 1.31 2.67 -30.07 2 3 1 26 189.323 7

Activity (Go SEA)

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