UCSF

ZINC37856284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.09 -2.48 -44.56 1 7 -1 101 329.379 5
Hi High (pH 8-9.5) 1.63 -0.32 -45.19 1 7 -1 100 329.379 5
Mid Mid (pH 6-8) 1.63 -0.45 -12.43 2 7 0 97 330.387 5
Mid Mid (pH 6-8) 2.09 -2.44 -105.42 0 7 -2 103 328.371 5

Activity (Go SEA)

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