UCSF

ZINC34560422

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 4.34 10.4 -13.37 2 3 0 43 293.757 1
Lo Low (pH 4.5-6) 4.34 10.47 -23.71 3 3 1 45 294.765 1

Activity (Go SEA)

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