UCSF

ZINC41720821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 3.74 9.14 -36.31 2 3 1 50 274.347 3
Hi High (pH 8-9.5) 3.74 8.71 -11.22 1 3 0 49 273.339 3

Activity (Go SEA)

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