UCSF

ZINC39912461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 7.26 13.63 -9.78 2 6 0 78 530.068 8
Hi High (pH 8-9.5) 7.03 13.76 -56.27 0 6 -1 77 529.06 8
Hi High (pH 8-9.5) 7.03 13.01 -56.25 0 6 -1 77 529.06 8
Hi High (pH 8-9.5) 7.26 14.44 -49.06 1 6 -1 81 529.06 8

Activity (Go SEA)

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