UCSF

ZINC39911994

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.12 9.1 -15.05 2 8 0 97 479.577 9
Hi High (pH 8-9.5) 4.89 9.71 -60.97 0 8 -1 96 478.569 9
Hi High (pH 8-9.5) 4.89 9.72 -50.2 0 8 -1 96 478.569 9
Hi High (pH 8-9.5) 5.12 10.37 -43.53 1 8 -1 100 478.569 9

Activity (Go SEA)

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