UCSF

ZINC41680068

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.52 3.88 -96.61 5 4 2 61 231.384 7
Hi High (pH 8-9.5) 0.70 1.43 -48.48 4 4 1 67 230.376 7
Hi High (pH 8-9.5) 0.70 1.14 -24.33 3 4 0 66 229.368 7
Hi High (pH 8-9.5) 0.52 3.96 -37.99 4 4 1 60 230.376 7

Activity (Go SEA)

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