UCSF

ZINC12619305

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 32 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) 5.17 13.06 -12.9 1 4 0 49 437.568 7
Lo Low (pH 4.5-6) 5.17 14.67 -63.79 2 4 1 50 438.576 7

Activity (Go SEA)

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