UCSF

ZINC71699676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2011 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) 1.39 2.8 -56.52 4 5 1 73 303.411 3
Hi High (pH 8-9.5) 1.39 2.4 -8.56 3 5 0 71 302.403 3
Mid Mid (pH 6-8) 1.39 5.53 -101.81 5 5 2 74 304.419 3

Activity (Go SEA)

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