UCSF

ZINC20930896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 25 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) 1.36 3.47 -45.47 2 8 1 77 348.427 7
Hi High (pH 8-9.5) 1.36 1.01 -11.04 1 8 0 76 347.419 7
Mid Mid (pH 6-8) 1.36 3.34 -51.16 2 8 1 77 348.427 7

Activity (Go SEA)

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