UCSF

ZINC36155206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.64 1.72 -49.17 3 8 1 103 364.422 9
Hi High (pH 8-9.5) 2.64 0.42 -13.33 2 8 0 99 363.414 9

Activity (Go SEA)

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