UCSF

ZINC26991188

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 19 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) 3.69 8.65 -25.42 1 2 1 8 263.449 3
Mid Mid (pH 6-8) 3.69 10.6 -107.38 2 2 2 9 264.457 3

Activity (Go SEA)

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