UCSF

ZINC19838737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.45 6.67 -13.38 1 3 0 41 275.735 3
Mid Mid (pH 6-8) 3.45 7.55 -51.51 0 3 -1 43 274.727 3

Activity (Go SEA)

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