UCSF

ZINC36998119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.54 8.7 -35.69 2 2 1 16 279.835 4
Mid Mid (pH 6-8) 3.54 9.62 -103.19 3 2 2 21 280.843 4

Activity (Go SEA)

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