UCSF

ZINC06296490

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 14 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) 2.94 5.84 -10 1 2 0 37 186.21 1
Hi High (pH 8-9.5) 2.94 6.83 -58.91 0 2 -1 40 185.202 1

Activity (Go SEA)

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