UCSF

ZINC12250018

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2008 34 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) 7.22 -0.6 -8.95 3 4 0 68 467.569 4
Lo Low (pH 4.5-6) 7.22 -0.49 -32.58 4 4 1 69 468.577 4

Activity (Go SEA)

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