UCSF

ZINC36208040

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 2.02 6.07 -52.59 3 6 1 80 366.507 7
Hi High (pH 8-9.5) 2.48 3.39 -47.75 2 6 0 83 365.499 7

Activity (Go SEA)

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