UCSF

ZINC53158921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 2.25 5.49 -38.51 2 4 0 66 280.686 3
Hi High (pH 8-9.5) 2.25 5.03 -48.19 1 4 -1 65 279.678 3
Mid Mid (pH 6-8) 2.25 4.03 -10.34 2 4 0 62 280.686 3

Activity (Go SEA)

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