UCSF

ZINC36182715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.23 0.56 -17.05 1 7 0 92 278.359 5
Hi High (pH 8-9.5) 0.75 -1.02 -42.96 0 7 -1 99 277.351 5

Activity (Go SEA)

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