UCSF

ZINC33940652

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.41 3.9 -43.77 3 7 1 84 290.347 4
Hi High (pH 8-9.5) 1.41 4 -56.83 2 7 0 83 289.339 4
Mid Mid (pH 6-8) 1.41 4.01 -45.49 3 7 1 84 290.347 4

Activity (Go SEA)

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