UCSF

ZINC04156821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 3.47 -0.23 -14.1 1 5 0 71 365.458 7
Mid Mid (pH 6-8) 3.47 0.02 -39.3 2 5 1 72 366.466 7

Activity (Go SEA)

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