UCSF

ZINC37008641

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) 0.91 1.52 -6.78 3 5 0 68 281.331 4
Mid Mid (pH 6-8) 0.91 3.9 -41.86 4 5 1 69 282.339 4

Activity (Go SEA)

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