UCSF

ZINC52289005

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.06 4.86 -103.52 4 2 2 32 170.3 1
Hi High (pH 8-9.5) 1.06 4.61 -25.99 3 2 1 30 169.292 1

Activity (Go SEA)

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