UCSF

ZINC37044917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.01 4.46 -5.73 3 5 0 81 278.352 7
Mid Mid (pH 6-8) 0.01 4.78 -45.76 4 5 1 83 279.36 7

Activity (Go SEA)

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