UCSF

ZINC39899025

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 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) 5.77 11.77 -36.3 1 5 -1 72 511.758 4
Mid Mid (pH 6-8) 5.77 11 -13.3 2 5 0 69 512.766 4
Mid Mid (pH 6-8) 5.77 10.9 -11.65 2 5 0 69 512.766 4

Activity (Go SEA)

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