UCSF

ZINC37840127

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) -0.34 -1.96 -15.66 2 8 0 98 315.399 5
Mid Mid (pH 6-8) -0.34 0.25 -51.4 3 8 1 100 316.407 5

Activity (Go SEA)

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