UCSF

ZINC19473534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 No

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) 2.04 5.33 -50.85 4 4 1 60 266.39 6
Hi High (pH 8-9.5) 2.04 3.09 -27.48 3 4 0 58 265.382 6

Activity (Go SEA)

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