UCSF

ZINC05269808

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 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) 1.47 7.48 -10.43 1 7 0 86 333.351 3
Mid Mid (pH 6-8) 1.47 7.95 -42.2 2 7 1 87 334.359 3

Activity (Go SEA)

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