UCSF

ZINC41727271

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 1.05 7.51 -41.19 3 2 1 33 227.331 1
Hi High (pH 8-9.5) 1.05 7.2 -4.3 2 2 0 31 226.323 1

Activity (Go SEA)

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