UCSF

ZINC62171751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 19 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) 4.22 10.55 -34.86 2 1 1 17 274.453 5
Mid Mid (pH 6-8) 4.22 10 -3.39 1 1 0 12 273.445 5

Activity (Go SEA)

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