UCSF

ZINC36932777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 1.60 5.57 -103.33 3 4 2 34 271.449 6
Mid Mid (pH 6-8) 1.60 3.35 -35.92 2 4 1 32 270.441 6
Mid Mid (pH 6-8) 1.60 6.33 -89.54 3 4 2 30 271.449 6

Activity (Go SEA)

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