UCSF

ZINC63020745

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 13 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) 0.05 1.4 -96.87 5 4 2 67 182.271 3
Mid Mid (pH 6-8) 0.05 2.05 -51.55 4 4 1 65 181.263 3
Mid Mid (pH 6-8) 0.05 2.16 -91.89 5 4 2 67 182.271 3

Activity (Go SEA)

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