UCSF

ZINC36427406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 2.17 5.07 -37.73 3 3 1 37 237.367 6
Hi High (pH 8-9.5) 2.17 2.64 -3.58 2 3 0 35 236.359 6

Activity (Go SEA)

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