UCSF

ZINC43966313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.47 3.5 -32.46 2 4 1 38 257.398 6
Hi High (pH 8-9.5) 1.47 2.73 -2.36 1 4 0 34 256.39 6
Mid Mid (pH 6-8) 1.47 4.63 -32.64 2 4 1 35 257.398 6

Activity (Go SEA)

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