UCSF

ZINC39376008

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 3.67 9.95 -40.29 1 2 1 8 285.333 4
Hi High (pH 8-9.5) 3.67 7.74 -3.29 0 2 0 6 284.325 4

Activity (Go SEA)

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