UCSF

ZINC21298735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 15 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) 0.62 -0.67 -8.17 1 5 0 53 216.281 3
Mid Mid (pH 6-8) 0.62 2.15 -40.94 2 5 1 54 217.289 3

Activity (Go SEA)

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