UCSF

ZINC27780023

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 24 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) 1.82 4.93 -45.78 1 6 1 56 335.403 5
Mid Mid (pH 6-8) 1.82 5.03 -51.73 1 6 1 56 335.403 5
Mid Mid (pH 6-8) 1.82 2.7 -10.77 0 6 0 55 334.395 5

Activity (Go SEA)

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