UCSF

ZINC12222761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 1.20 1.57 -54.84 2 5 1 53 369.464 7
Lo Low (pH 4.5-6) 1.20 1.68 -110.55 3 5 2 55 370.472 7

Activity (Go SEA)

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