UCSF

ZINC19271843

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) 1.99 6.71 -40.17 3 3 1 50 262.373 6
Hi High (pH 8-9.5) 1.99 6.36 -4.7 2 3 0 48 261.365 6

Activity (Go SEA)

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