UCSF

ZINC07778946

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2006 28 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) 4.39 13.81 -10.71 0 5 0 51 396.56 6
Lo Low (pH 4.5-6) 4.39 13.93 -31.83 1 5 1 52 397.568 6

Activity (Go SEA)

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