UCSF

ZINC36888684

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.33 2.36 -37.71 4 3 1 55 228.266 5
Mid Mid (pH 6-8) -1.58 4.86 -33.13 5 3 1 56 228.266 5

Activity (Go SEA)

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