UCSF

ZINC43410376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.14 4.82 -34.15 4 5 1 71 288.419 3
Hi High (pH 8-9.5) 1.14 5.87 -7.33 3 5 0 69 287.411 3
Mid Mid (pH 6-8) 1.14 7.02 -88.29 5 5 2 72 289.427 3
Mid Mid (pH 6-8) 1.14 8.1 -33.42 4 5 1 70 288.419 3

Activity (Go SEA)

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