UCSF

ZINC37076605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.89 5.9 -35.72 2 4 1 52 270.374 7
Mid Mid (pH 6-8) 1.89 4.94 -5.94 1 4 0 48 269.366 7

Activity (Go SEA)

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