UCSF

ZINC08698856

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 17 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) 1.34 5.96 -44.51 2 4 0 70 234.299 4
Lo Low (pH 4.5-6) 1.34 6.23 -79.95 3 4 1 71 235.307 4

Activity (Go SEA)

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