UCSF

ZINC20247301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) -0.35 -0.88 -54.55 3 5 1 66 208.307 4
Mid Mid (pH 6-8) -0.35 -2.27 -9.36 2 5 0 61 207.299 4

Activity (Go SEA)

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