UCSF

ZINC16524142

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 27 No

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) 6.22 10.57 -48.67 0 4 -1 62 374.803 3
Mid Mid (pH 6-8) 6.22 9.69 -9.39 1 4 0 59 375.811 3

Activity (Go SEA)

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