UCSF

ZINC19502720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 2.29 4.41 -48.81 3 3 1 48 225.356 1
Hi High (pH 8-9.5) 2.29 4.29 -5.19 2 3 0 46 224.348 1

Activity (Go SEA)

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