UCSF

ZINC41677446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.51 7.65 -33.52 2 4 1 42 209.317 6
Hi High (pH 8-9.5) 1.51 5.11 -5.23 1 4 0 41 208.309 6

Activity (Go SEA)

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