UCSF

ZINC22624029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 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) 2.00 5.06 -21.39 2 9 0 96 413.478 7
Mid Mid (pH 6-8) 2.00 5.35 -52.77 3 9 1 97 414.486 7

Activity (Go SEA)

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