UCSF

ZINC37044136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 0.97 1.83 -47.58 4 6 1 84 282.345 4
Mid Mid (pH 6-8) 0.97 0.62 -13.49 3 6 0 79 281.337 4

Activity (Go SEA)

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