UCSF

ZINC37872213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.16 3.55 -49.07 3 4 1 70 233.291 7
Hi High (pH 8-9.5) 1.16 2.1 -9.01 2 4 0 65 232.283 7

Activity (Go SEA)

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