UCSF

ZINC41043428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) -2.44 -4.62 -10.51 5 7 0 115 214.225 5
Mid Mid (pH 6-8) -2.44 -4.62 -12.5 5 7 0 115 214.225 5

Activity (Go SEA)

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