UCSF

ZINC37791786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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 3.24 -48.12 1 6 -1 82 285.364 8
Mid Mid (pH 6-8) 0.90 5.43 -69.45 2 6 0 83 286.372 8

Activity (Go SEA)

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