UCSF

ZINC19743642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 27 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) 3.49 8.05 -45.36 2 4 1 37 369.529 8
Mid Mid (pH 6-8) 3.49 7.95 -31.17 2 4 1 37 369.529 8
Mid Mid (pH 6-8) 3.49 5.66 -7.98 1 4 0 36 368.521 8

Activity (Go SEA)

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