UCSF

ZINC39870054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 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) 4.38 6.81 -77.05 2 6 -1 102 353.379 4
Hi High (pH 8-9.5) 4.38 6.95 -197.9 0 6 -3 107 351.363 4
Mid Mid (pH 6-8) 4.38 6.18 -128.33 1 6 -2 104 352.371 4

Activity (Go SEA)

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