UCSF

ZINC40860817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 Yes

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) 0.03 1.9 -45.19 2 6 1 57 291.441 4
Mid Mid (pH 6-8) 0.03 3.11 -118.33 3 6 2 62 292.449 4
Mid Mid (pH 6-8) 0.03 -0.03 -7.14 1 6 0 56 290.433 4
Mid Mid (pH 6-8) 0.03 1.15 -52.83 2 6 1 60 291.441 4

Activity (Go SEA)

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