UCSF

ZINC37853053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.94 0.8 -42.18 4 4 1 66 240.323 7
Hi High (pH 8-9.5) 0.94 -0.67 -7.77 3 4 0 62 239.315 7

Activity (Go SEA)

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