UCSF

ZINC12250931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 27 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) 4.65 1.84 -14.99 1 4 0 66 377.444 5
Lo Low (pH 4.5-6) 4.65 2.03 -50.02 2 4 1 67 378.452 5

Activity (Go SEA)

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