UCSF

ZINC07056889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 21 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) 2.84 5.12 -42.93 0 5 -1 81 301.347 5
Mid Mid (pH 6-8) 2.84 5 -11.31 1 5 0 79 302.355 5

Activity (Go SEA)

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