UCSF

ZINC04158126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 20 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) 2.34 -2.43 -10.52 1 4 0 47 292.404 8
Mid Mid (pH 6-8) 2.34 -2.18 -29.93 2 4 1 48 293.412 8

Activity (Go SEA)

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