UCSF

ZINC34682206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.15 6.94 -43.65 3 8 1 92 417.53 8
Lo Low (pH 4.5-6) 2.15 7.3 -98.47 4 8 2 94 418.538 8

Activity (Go SEA)

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