UCSF

ZINC34681930

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.27 13.17 -44.04 2 5 1 50 459.467 5
Lo Low (pH 4.5-6) 4.27 13.54 -105.51 3 5 2 51 460.475 5

Activity (Go SEA)

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