UCSF

ZINC07884258

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 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) 2.31 9.38 -14.04 1 4 0 45 315.376 3
Lo Low (pH 4.5-6) 2.31 9.83 -46.67 2 4 1 46 316.384 3

Activity (Go SEA)

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