UCSF

ZINC39973988

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 21 No

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) 1.96 8.93 -44.11 3 5 1 52 325.845 8
Mid Mid (pH 6-8) 1.96 8.41 -16.4 2 5 0 51 324.837 8

Activity (Go SEA)

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