UCSF

ZINC19809856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 4.38 7.69 -39.82 3 3 1 46 279.448 2
Hi High (pH 8-9.5) 4.38 6.6 -9.05 2 3 0 41 278.44 2

Activity (Go SEA)

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