UCSF

ZINC34772293

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 33 No

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) 1.27 11.52 -31.83 2 7 0 111 442.471 4
Mid Mid (pH 6-8) 1.27 10.26 -50.87 1 7 -1 107 441.463 4

Activity (Go SEA)

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