UCSF

ZINC39265340

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.54 9.54 -17.19 1 7 0 75 492.523 7
Mid Mid (pH 6-8) 3.54 11.75 -51.1 2 7 1 76 493.531 7

Activity (Go SEA)

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