UCSF

ZINC43970172

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) 1.45 3.94 -32.36 2 4 1 38 257.398 8
Hi High (pH 8-9.5) 1.45 3.19 -1.77 1 4 0 34 256.39 8
Mid Mid (pH 6-8) 1.45 4.89 -30.25 2 4 1 35 257.398 8

Activity (Go SEA)

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