UCSF

ZINC35306769

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 1.69 3.73 -50.99 1 5 -1 86 260.266 5
Mid Mid (pH 6-8) 1.69 3.78 -118.52 0 5 -2 88 259.258 5

Activity (Go SEA)

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