UCSF

ZINC42141547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 14 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) 0.41 4.51 -81.8 4 4 2 48 196.298 4
Hi High (pH 8-9.5) 0.41 2.04 -29.63 3 4 1 47 195.29 4
Hi High (pH 8-9.5) 0.41 4.05 -37.63 3 4 1 47 195.29 4

Activity (Go SEA)

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