UCSF

ZINC42252551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 3.48 9.24 -35.91 1 3 1 31 228.356 7
Hi High (pH 8-9.5) 3.48 7.07 -4.6 0 3 0 30 227.348 7

Activity (Go SEA)

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