UCSF

ZINC21938359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 33 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) 3.37 7.33 -61.56 3 7 1 69 469.009 5
Mid Mid (pH 6-8) 3.37 5.01 -17.59 2 7 0 68 468.001 5

Activity (Go SEA)

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