UCSF

ZINC42410679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 3.22 3.74 -7.23 1 3 0 36 260.362 2
Hi High (pH 8-9.5) 3.22 4.5 -49.33 0 3 -1 39 259.354 2
Mid Mid (pH 6-8) 3.22 6.02 -39.64 2 3 1 38 261.37 2

Activity (Go SEA)

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