UCSF

ZINC37404759

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 2.08 5.51 -41.09 1 5 -1 86 293.299 4
Hi High (pH 8-9.5) 2.53 3.81 -108.89 0 5 -2 89 292.291 4

Activity (Go SEA)

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