UCSF

ZINC25380931

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 20 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) 4.40 7.38 -10.03 1 3 0 42 290.432 4
Mid Mid (pH 6-8) 4.40 7.77 -35.36 2 3 1 43 291.44 4

Activity (Go SEA)

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