UCSF

ZINC33804060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.52 6.8 -123.35 1 5 -2 92 413.021 3
Mid Mid (pH 6-8) 4.52 5.96 -68.3 2 5 -1 89 414.029 3

Activity (Go SEA)

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