UCSF

ZINC37985132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 4.63 8.78 -47.44 2 1 1 17 380.1 4
Mid Mid (pH 6-8) 4.63 7.39 -4.11 1 1 0 12 379.092 4

Activity (Go SEA)

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