UCSF

ZINC59570748

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 23 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) 3.05 9.51 -35.71 2 4 1 50 304.373 1
Mid Mid (pH 6-8) 3.05 9.09 -14.28 1 4 0 49 303.365 1

Activity (Go SEA)

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