UCSF

ZINC43915505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.64 1.59 -34.23 2 5 1 48 259.37 5
Hi High (pH 8-9.5) 0.64 4.06 -27.84 2 5 1 44 259.37 5
Mid Mid (pH 6-8) 0.64 -0.09 -4.41 1 5 0 43 258.362 5

Activity (Go SEA)

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