UCSF

ZINC43894281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.44 7.09 -41.21 2 3 1 33 262.421 5
Hi High (pH 8-9.5) 2.44 8.31 -28.7 2 3 1 29 262.421 5
Mid Mid (pH 6-8) 2.44 7.27 -96.16 3 3 2 34 263.429 5

Activity (Go SEA)

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