UCSF

ZINC46502503

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 2.11 5.74 -45.47 2 4 1 43 287.33 8
Hi High (pH 8-9.5) 2.11 3.42 -10.27 1 4 0 42 286.322 8

Activity (Go SEA)

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