UCSF

ZINC29092855

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 25 Yes

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) 3.24 10.67 -61.08 2 5 0 50 339.463 6
Mid Mid (pH 6-8) 3.24 10.56 -11.61 1 5 0 48 338.455 6
Lo Low (pH 4.5-6) 3.24 11.16 -55 3 5 0 51 340.471 6

Activity (Go SEA)

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