UCSF

ZINC34681646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 39 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) 5.30 14.48 -44.61 2 8 1 77 533.693 9
Lo Low (pH 4.5-6) 5.30 14.8 -103.45 3 8 2 79 534.701 9

Activity (Go SEA)

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