UCSF

ZINC19475019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 1.89 4.36 -45.67 4 3 1 57 251.394 3
Hi High (pH 8-9.5) 1.89 4.05 -6.34 3 3 0 55 250.386 3

Activity (Go SEA)

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