UCSF

ZINC43406191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 3.55 7.46 -42.4 3 2 1 41 263.43 3
Hi High (pH 8-9.5) 3.55 7.06 -4.54 2 2 0 39 262.422 3

Activity (Go SEA)

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