UCSF

ZINC43395713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.98 6.64 -99.62 4 3 2 45 235.375 3
Hi High (pH 8-9.5) 1.98 6.26 -23.74 3 3 1 43 234.367 3
Mid Mid (pH 6-8) 1.98 6.21 -48.13 3 3 1 44 234.367 3

Activity (Go SEA)

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