UCSF

ZINC20100837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.14 7.02 -42.77 3 4 1 46 300.407 1
Mid Mid (pH 6-8) 2.14 4.61 -12.32 2 4 0 44 299.399 1

Activity (Go SEA)

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