UCSF

ZINC37039367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.37 0.91 -49.69 3 5 1 60 216.305 4
Mid Mid (pH 6-8) -0.37 2.84 -114.75 4 5 2 62 217.313 4

Activity (Go SEA)

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