UCSF

ZINC31916115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.66 8.75 -15.41 0 5 0 60 307.353 4
Mid Mid (pH 6-8) 2.66 9.16 -37.39 1 5 1 61 308.361 4

Activity (Go SEA)

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