UCSF

ZINC37840905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -1.11 -0.41 -16.51 1 8 0 102 313.383 7
Mid Mid (pH 6-8) -1.11 1.85 -61.45 2 8 1 104 314.391 7

Activity (Go SEA)

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