UCSF

ZINC43631263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 1.82 7.95 -43.24 1 3 1 31 244.261 6
Hi High (pH 8-9.5) 1.82 5.59 -6.49 0 3 0 30 243.253 6

Activity (Go SEA)

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