UCSF

ZINC19731203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 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) 1.73 2.98 -4.25 2 3 0 38 220.316 3
Mid Mid (pH 6-8) 1.73 4.96 -33.19 3 3 1 40 221.324 3

Activity (Go SEA)

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