UCSF

ZINC08090121

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2006 25 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) 3.43 4.09 -12.93 1 6 0 71 354.435 6
Lo Low (pH 4.5-6) 3.43 4.84 -81.58 2 6 0 72 355.443 6

Activity (Go SEA)

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