UCSF

ZINC29700929

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 35 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) 3.32 10.41 -18.96 0 8 0 70 487.53 5
Mid Mid (pH 6-8) 3.32 12.69 -62.11 1 8 1 71 488.538 5

Activity (Go SEA)

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