UCSF

ZINC34976187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 4.02 7.98 -26.33 3 3 1 45 244.362 3
Mid Mid (pH 6-8) 4.02 7.99 -6.42 2 3 0 44 243.354 3

Activity (Go SEA)

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