UCSF

ZINC35114147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 13 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) -0.86 0.61 -43.24 3 4 1 57 187.263 5
Hi High (pH 8-9.5) -0.86 -0.74 -10.63 2 4 0 53 186.255 5

Activity (Go SEA)

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