UCSF

ZINC37039384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.94 -1.49 -50.15 5 5 1 77 201.294 3
Mid Mid (pH 6-8) -0.94 0.45 -114.41 6 5 2 78 202.302 3

Activity (Go SEA)

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