UCSF

ZINC35486024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 38 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) 4.08 10.74 -13.44 0 8 0 81 518.61 10
Mid Mid (pH 6-8) 4.08 13.01 -48.41 1 8 1 83 519.618 10

Activity (Go SEA)

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