UCSF

ZINC36950517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.32 7.22 -103.94 4 3 2 41 284.488 7
Mid Mid (pH 6-8) 3.32 7.76 -37.32 3 3 1 44 283.48 7

Activity (Go SEA)

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