UCSF

ZINC39229743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.00 8.42 -17.99 2 7 0 87 401.47 5
Lo Low (pH 4.5-6) 2.00 8.96 -41.68 3 7 1 88 402.478 5
Lo Low (pH 4.5-6) 2.00 9.4 -99.69 4 7 2 90 403.486 5
Lo Low (pH 4.5-6) 2.00 8.86 -48 3 7 1 88 402.478 5

Activity (Go SEA)

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