UCSF

ZINC04158107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 7.04 -1.94 -11.74 1 3 0 29 383.967 5
Mid Mid (pH 6-8) 7.04 -1.75 -27.1 2 3 1 30 384.975 5

Activity (Go SEA)

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