UCSF

ZINC36794845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.75 -2.58 -11.53 4 5 0 82 238.287 5
Hi High (pH 8-9.5) 0.75 -0.54 -39.44 4 5 0 89 238.287 5

Activity (Go SEA)

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