UCSF

ZINC12084559

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 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) 3.21 -1.63 -15.59 3 5 0 85 339.42 3
Lo Low (pH 4.5-6) 3.21 -1.59 -35.53 4 5 1 86 340.428 3

Activity (Go SEA)

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