UCSF

ZINC37044936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.56 5.69 -44.18 4 5 1 83 293.387 8
Mid Mid (pH 6-8) 1.56 5.37 -10.16 3 5 0 81 292.379 8

Activity (Go SEA)

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