UCSF

ZINC37985130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 4.35 7.35 -46.7 2 3 1 35 406.119 4
Mid Mid (pH 6-8) 4.35 5.98 -5.38 1 3 0 30 405.111 4

Activity (Go SEA)

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