UCSF

ZINC06018637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 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) 3.21 5.39 -12.39 1 5 0 61 325.364 5
Lo Low (pH 4.5-6) 3.21 5.59 -42.02 2 5 1 62 326.372 5

Activity (Go SEA)

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