UCSF

ZINC42189148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.55 3.27 -13.3 3 4 0 70 269.3 2
Hi High (pH 8-9.5) 2.55 4.28 -62.67 2 4 -1 72 268.292 2

Activity (Go SEA)

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