UCSF

ZINC39912588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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 9.78 -11.81 2 7 0 88 483.568 7
Hi High (pH 8-9.5) 5.18 10.78 -56.45 0 7 -1 87 482.56 7
Hi High (pH 8-9.5) 5.18 10.81 -55.53 0 7 -1 87 482.56 7
Hi High (pH 8-9.5) 5.41 10.65 -46.28 1 7 -1 91 482.56 7

Activity (Go SEA)

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