UCSF

ZINC43423248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.56 5.79 -103.21 4 4 2 54 263.385 2
Hi High (pH 8-9.5) 1.56 5 -5.26 2 4 0 51 261.369 2
Hi High (pH 8-9.5) 1.56 5.58 -26.11 3 4 1 53 262.377 2
Mid Mid (pH 6-8) 1.56 5.36 -49.49 3 4 1 53 262.377 2

Activity (Go SEA)

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