UCSF

ZINC35304165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 0.98 7.78 -31.95 1 3 0 45 276.105 4
Hi High (pH 8-9.5) 0.98 5.69 -43.59 0 3 -1 43 275.097 4

Activity (Go SEA)

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