UCSF

ZINC39912352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 5.41 11.05 -15.31 2 7 0 88 497.595 7
Hi High (pH 8-9.5) 5.18 11.95 -59.28 0 7 -1 87 496.587 7
Hi High (pH 8-9.5) 5.18 11.46 -51.61 0 7 -1 87 496.587 7
Hi High (pH 8-9.5) 5.41 11.92 -44.08 1 7 -1 91 496.587 7

Activity (Go SEA)

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