UCSF

ZINC16240512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 22 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) 3.87 9.95 -47.47 3 3 1 28 344.907 6
Hi High (pH 8-9.5) 3.87 8.05 -10.81 2 3 0 27 343.899 6

Activity (Go SEA)

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