UCSF

ZINC37859377

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) -0.31 -2.94 -19.84 2 8 0 116 355.463 4
Mid Mid (pH 6-8) 0.14 -5.08 -49.29 1 8 -1 119 354.455 4

Activity (Go SEA)

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