UCSF

ZINC37864092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.51 3.94 -7.26 2 3 0 41 275.323 6
Mid Mid (pH 6-8) 2.51 5.36 -50.66 3 3 1 46 276.331 6

Activity (Go SEA)

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