UCSF

ZINC04245700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 16 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) 2.08 5.57 -37.13 2 3 1 28 219.308 0
Hi High (pH 8-9.5) 2.08 3.61 -4.38 1 3 0 27 218.3 0

Activity (Go SEA)

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