UCSF

ZINC45658674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.44 1.98 -118.14 4 5 2 69 291.461 4
Hi High (pH 8-9.5) -0.44 -1.34 -57.07 3 5 1 68 290.453 4
Hi High (pH 8-9.5) -0.44 -0.01 -47.19 3 5 1 68 290.453 4
Mid Mid (pH 6-8) -0.44 0.31 -126.16 4 5 2 69 291.461 4

Activity (Go SEA)

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