UCSF

ZINC37787172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.76 5.44 -14 2 5 0 59 290.411 4
Mid Mid (pH 6-8) 2.76 5.54 -48.5 3 5 1 64 291.419 4

Activity (Go SEA)

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