UCSF

ZINC42771617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.96 8.48 -50.88 1 3 0 45 239.34 4
Hi High (pH 8-9.5) 1.96 6.43 -45.09 0 3 -1 43 238.332 4

Activity (Go SEA)

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