UCSF

ZINC20595928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 21 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) 4.03 9.95 -38.68 2 2 1 16 287.471 4
Mid Mid (pH 6-8) 4.03 10.85 -111.49 3 2 2 21 288.479 4

Activity (Go SEA)

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