UCSF

ZINC42818694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 2.27 6.8 -50.44 2 6 1 81 281.332 7
Hi High (pH 8-9.5) 2.27 5.4 -7.46 1 6 0 76 280.324 7

Activity (Go SEA)

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