UCSF

ZINC08402806

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 30 No

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) -1.05 -4.59 -112.57 3 12 -2 190 451.442 8
Lo Low (pH 4.5-6) -1.05 -4.53 -94.4 4 12 -1 191 452.45 8

Activity (Go SEA)

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