UCSF

ZINC42579651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 2.75 5.45 -37.6 3 3 1 46 239.383 3
Hi High (pH 8-9.5) 2.75 5.44 -5.36 2 3 0 41 238.375 3

Activity (Go SEA)

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