UCSF

ZINC39912402

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 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) 6.06 12.55 -15.44 2 7 0 88 523.633 9
Hi High (pH 8-9.5) 5.83 13.47 -59.37 0 7 -1 87 522.625 9
Hi High (pH 8-9.5) 5.83 12.98 -51.17 0 7 -1 87 522.625 9
Hi High (pH 8-9.5) 6.06 13.42 -43.95 1 7 -1 91 522.625 9

Activity (Go SEA)

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