UCSF

ZINC39912511

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 5.76 11.75 -11.14 2 5 0 69 461.924 4
Hi High (pH 8-9.5) 5.53 11.61 -53.19 0 5 -1 68 460.916 4
Hi High (pH 8-9.5) 5.53 11.26 -50.49 0 5 -1 68 460.916 4
Hi High (pH 8-9.5) 5.76 12.57 -42.48 1 5 -1 72 460.916 4

Activity (Go SEA)

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