UCSF

ZINC20593512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.27 5.07 -90.45 3 3 2 24 227.396 4
Hi High (pH 8-9.5) 1.27 2.75 -39.35 2 3 1 23 226.388 4
Mid Mid (pH 6-8) 1.27 5.12 -79.45 3 3 2 24 227.396 4

Activity (Go SEA)

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