UCSF

ZINC19471754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 0.22 0.68 -42.66 4 4 1 66 203.306 6
Hi High (pH 8-9.5) 0.22 0.39 -5.3 3 4 0 64 202.298 6

Activity (Go SEA)

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