UCSF

ZINC07122470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 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) 4.34 6.95 -16.97 2 5 0 75 391.493 6
Mid Mid (pH 6-8) 4.79 5.72 -43.95 1 5 -1 78 390.485 6

Activity (Go SEA)

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