UCSF

ZINC22593022

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 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) 0.33 4.58 -42.24 3 7 0 95 343.33 7
Lo Low (pH 4.5-6) 0.33 5.78 -106.04 4 7 1 100 344.338 7

Activity (Go SEA)

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