UCSF

ZINC34670785

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.42 2.46 -10.89 1 6 0 60 353.459 9
Lo Low (pH 4.5-6) 2.42 4.72 -46.13 2 6 1 62 354.467 9

Activity (Go SEA)

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