UCSF

ZINC35180706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 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) -0.93 0.14 -43.05 4 7 1 95 214.249 5
Mid Mid (pH 6-8) -0.47 -1.53 -56.77 3 7 0 98 213.241 5

Activity (Go SEA)

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