UCSF

ZINC20370444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) -0.16 2.22 -38.27 3 4 1 67 177.231 3
Hi High (pH 8-9.5) -0.16 1.79 -10.76 2 4 0 66 176.223 3

Activity (Go SEA)

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