UCSF

ZINC42825545

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.10 2.26 -110.41 5 3 2 53 188.315 5
Hi High (pH 8-9.5) 0.10 0.85 -41.26 4 3 1 49 187.307 5
Hi High (pH 8-9.5) 0.10 1.93 -37.2 4 3 1 52 187.307 5

Activity (Go SEA)

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