UCSF

ZINC53341754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.16 3.81 -32.44 2 3 1 26 201.334 7
Hi High (pH 8-9.5) 1.16 1.55 -2.55 1 3 0 24 200.326 7
Mid Mid (pH 6-8) 1.16 2.97 -35.21 2 3 1 29 201.334 7
Mid Mid (pH 6-8) 1.16 5.22 -107.91 3 3 2 30 202.342 7

Activity (Go SEA)

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