UCSF

ZINC04249693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 19 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) 2.70 -2.6 -10.41 2 5 0 74 276.296 3
Mid Mid (pH 6-8) 3.16 3.58 -45.25 1 5 -1 78 275.288 3

Activity (Go SEA)

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