UCSF

ZINC20433004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 18 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) 2.98 3.42 -8.04 1 3 0 36 260.362 2
Hi High (pH 8-9.5) 2.98 4.2 -49.25 0 3 -1 39 259.354 2
Mid Mid (pH 6-8) 2.98 5.75 -42.65 2 3 1 38 261.37 2

Activity (Go SEA)

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