UCSF

ZINC09676683

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 25 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) 3.77 7.69 -14.37 1 5 0 66 421.316 4
Mid Mid (pH 6-8) 3.77 7.71 -48.84 0 5 -1 69 420.308 4

Activity (Go SEA)

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