UCSF

ZINC05758070

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 20 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) 5.65 10.8 -45.93 1 3 -1 60 285.448 14
Lo Low (pH 4.5-6) 5.65 8.82 -7.99 2 3 0 58 286.456 14

Activity (Go SEA)

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