UCSF

ZINC35205888

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 15 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) -0.29 0.14 -10.98 2 5 0 65 209.249 4
Lo Low (pH 4.5-6) -0.29 0.48 -36.1 3 5 1 67 210.257 4

Activity (Go SEA)

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