UCSF

ZINC19837643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 1.67 3.77 -13.79 1 4 0 50 223.272 3
Hi High (pH 8-9.5) 1.67 4.66 -60.02 0 4 -1 53 222.264 3

Activity (Go SEA)

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