UCSF

ZINC41650648

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.70 8.83 -12.55 0 6 0 57 418.493 5
Lo Low (pH 4.5-6) 3.70 11.67 -55.61 1 6 1 58 419.501 5

Activity (Go SEA)

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