UCSF

ZINC43391163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.72 7.68 -39.3 2 4 1 43 303.785 8
Hi High (pH 8-9.5) 2.72 5.22 -5.24 1 4 0 42 302.777 8

Activity (Go SEA)

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