UCSF

ZINC43393580

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 1.40 3.35 -42.24 4 2 1 40 193.314 5
Hi High (pH 8-9.5) 1.40 4.32 -39.22 4 2 1 43 193.314 5

Activity (Go SEA)

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