UCSF

ZINC34560516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.85 11.35 -13.9 1 4 0 46 315.376 2
Lo Low (pH 4.5-6) 3.85 11.09 -25.62 2 4 1 48 316.384 2

Activity (Go SEA)

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