UCSF

ZINC36787757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 4.34 11.13 -5.71 0 2 0 16 276.811 4
Mid Mid (pH 6-8) 4.34 10.94 -23.51 1 2 1 17 277.819 4

Activity (Go SEA)

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