UCSF

ZINC37081789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.70 3 -41.33 3 3 1 40 291.337 7
Mid Mid (pH 6-8) 2.70 5.5 -115.06 4 3 2 41 292.345 7

Activity (Go SEA)

Rings

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