UCSF

ZINC39912295

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) 6.03 12.64 -16.41 2 7 0 88 511.622 9
Hi High (pH 8-9.5) 5.80 13.19 -46.31 0 7 -1 87 510.614 9
Hi High (pH 8-9.5) 5.80 12.88 -57.9 0 7 -1 87 510.614 9
Hi High (pH 8-9.5) 6.03 13.77 -40.84 1 7 -1 91 510.614 9

Activity (Go SEA)

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