UCSF

ZINC36754735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.96 1.37 -15.16 2 7 0 88 379.482 7
Mid Mid (pH 6-8) 0.96 3.32 -53.57 3 7 1 89 380.49 7

Activity (Go SEA)

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