UCSF

ZINC40417183

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 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) 1.97 3.64 -10.49 1 3 0 38 210.664 2
Lo Low (pH 4.5-6) 1.97 4.31 -28.36 2 3 1 39 211.672 2

Activity (Go SEA)

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