UCSF

ZINC36876210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.11 2.54 -48.96 4 4 1 69 203.269 4
Mid Mid (pH 6-8) -0.11 3 -103.14 5 4 2 70 204.277 4

Activity (Go SEA)

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