UCSF

ZINC06416173

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 2.65 2.13 -10.38 2 4 0 66 263.318 3
Hi High (pH 8-9.5) 2.65 2.2 -44.02 1 4 -1 68 262.31 3

Activity (Go SEA)

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