UCSF

ZINC27755952

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 36 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) 4.42 15.8 -21.33 0 6 0 58 478.596 6
Mid Mid (pH 6-8) 4.42 16.2 -47.47 1 6 1 60 479.604 6

Activity (Go SEA)

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