UCSF

ZINC17107354

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 12 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) 0.14 1.58 -29.85 1 4 0 59 161.164 0
Mid Mid (pH 6-8) 0.60 1.14 -44.28 0 4 -1 62 160.156 0

Activity (Go SEA)

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