UCSF

ZINC49982431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 18 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) -0.14 3.43 -42.62 2 6 1 66 255.342 6
Hi High (pH 8-9.5) -0.14 1.3 -7.79 1 6 0 65 254.334 6

Activity (Go SEA)

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