UCSF

ZINC40176305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 15 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) 2.34 4.31 -28.37 3 4 0 80 222.631 1
Hi High (pH 8-9.5) 2.34 3.93 -52.24 2 4 -1 79 221.623 1

Activity (Go SEA)

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