UCSF

ZINC43252458

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.97 3.93 -128.69 5 4 2 61 291.848 6
Hi High (pH 8-9.5) 1.97 1.98 -9.09 3 4 0 58 289.832 6
Mid Mid (pH 6-8) 1.97 3.64 -41.32 4 4 1 60 290.84 6
Mid Mid (pH 6-8) 1.97 2.22 -56 4 4 1 60 290.84 6

Activity (Go SEA)

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