UCSF

ZINC19841426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 2.84 5.59 -56.55 3 4 1 55 286.351 4
Hi High (pH 8-9.5) 2.84 5.26 -8.55 2 4 0 54 285.343 4

Activity (Go SEA)

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