UCSF

ZINC27525946

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 27 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) 0.53 8.74 -106.8 2 6 0 82 373.428 5
Mid Mid (pH 6-8) -2.21 7.78 -74.69 3 6 1 85 374.436 4

Activity (Go SEA)

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