UCSF

ZINC28001084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 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) -0.90 1 -41.66 4 7 0 123 246.263 9
Hi High (pH 8-9.5) -0.90 0.66 -45.04 3 7 -1 122 245.255 9

Activity (Go SEA)

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