UCSF

ZINC35759784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 1.63 7.61 -43.78 1 3 0 45 213.302 5
Hi High (pH 8-9.5) 1.63 5.83 -47.07 0 3 -1 43 212.294 5

Activity (Go SEA)

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