UCSF

ZINC36779787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.77 3.78 -37.15 3 4 1 55 236.32 4
Mid Mid (pH 6-8) 1.77 3.42 -8.86 2 4 0 54 235.312 4

Activity (Go SEA)

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