UCSF

ZINC39229724

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 3.62 10.35 -49.93 3 5 1 62 407.925 5
Mid Mid (pH 6-8) 3.62 9.25 -8.5 2 5 0 57 406.917 5

Activity (Go SEA)

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