UCSF

ZINC12580651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 3.94 9.73 -12.76 0 4 0 63 338.432 5
Lo Low (pH 4.5-6) 3.94 9.94 -47.7 1 4 1 64 339.44 5

Activity (Go SEA)

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