UCSF

ZINC41681693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) -0.66 1.07 -103.78 4 6 2 70 266.411 7
Mid Mid (pH 6-8) -0.66 -0.14 -43.12 3 6 1 66 265.403 7

Activity (Go SEA)

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