UCSF

ZINC20305372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 4.21 7.78 -28.77 2 1 1 17 247.189 4
Hi High (pH 8-9.5) 4.21 6.69 -1.95 1 1 0 12 246.181 4

Activity (Go SEA)

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