UCSF

ZINC42446747

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 2.71 7.72 -44.22 1 2 1 28 181.303 3
Hi High (pH 8-9.5) 2.71 5.78 -4.08 0 2 0 27 180.295 3

Activity (Go SEA)

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