UCSF

ZINC06477897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 23 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) 5.14 11.56 -18.31 0 4 0 44 349.217 3
Lo Low (pH 4.5-6) 5.14 12.04 -55.74 1 4 1 45 350.225 3

Activity (Go SEA)

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