UCSF

ZINC63121317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 14 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) 0.88 4.83 -88.28 3 3 2 29 202.342 4
Hi High (pH 8-9.5) 0.88 2.72 -33.56 2 3 1 28 201.334 4

Activity (Go SEA)

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