UCSF

ZINC04382712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 5.48 14.72 -51.26 0 4 -1 58 393.532 10
Mid Mid (pH 6-8) 5.48 15.13 -50.83 1 4 0 59 394.54 10

Activity (Go SEA)

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