UCSF

ZINC37044096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.79 4.03 -42.55 3 4 1 55 271.337 4
Mid Mid (pH 6-8) 1.79 2.67 -6.25 2 4 0 50 270.329 4

Activity (Go SEA)

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