UCSF

ZINC12421827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 21 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) -0.01 5.99 -33.75 2 5 0 75 279.299 3
Lo Low (pH 4.5-6) -0.01 6.42 -71.05 3 5 1 76 280.307 3

Activity (Go SEA)

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