UCSF

ZINC37869951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) -0.09 -1.73 -40.67 5 4 1 80 181.215 3
Mid Mid (pH 6-8) -0.09 -2.93 -9.67 4 4 0 75 180.207 3

Activity (Go SEA)

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