UCSF

ZINC39957310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 18 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) 2.18 5.63 -31.42 2 3 1 29 247.362 3
Hi High (pH 8-9.5) 2.18 6.33 -30.31 2 3 1 26 247.362 3
Hi High (pH 8-9.5) 2.18 4.38 -2.96 1 3 0 24 246.354 3

Activity (Go SEA)

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