UCSF

ZINC60175802

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 28 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) 5.97 13.13 -2.4 0 2 0 12 377.572 7
Mid Mid (pH 6-8) 5.97 15.29 -36.9 1 2 1 14 378.58 7

Activity (Go SEA)

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