UCSF

ZINC32129716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 No

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) 1.87 4.62 -10.79 0 5 0 61 284.315 6
Lo Low (pH 4.5-6) 1.87 5.71 -50.65 1 5 1 62 285.323 6
Lo Low (pH 4.5-6) 1.87 5.06 -41.18 1 5 1 62 285.323 6
Lo Low (pH 4.5-6) 1.87 6.15 -117.92 2 5 2 64 286.331 6

Activity (Go SEA)

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