UCSF

ZINC37981846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) -0.22 5.35 -36.93 2 4 0 70 236.296 4
Hi High (pH 8-9.5) -0.22 4.26 -52.44 1 4 -1 65 235.288 4

Activity (Go SEA)

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