UCSF

ZINC27549750

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 2.73 5.67 -5.14 0 3 0 22 293.432 3
Mid Mid (pH 6-8) 2.73 7.87 -35.12 1 3 1 23 294.44 3

Activity (Go SEA)

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