UCSF

ZINC43399006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.59 9.23 -31.62 1 5 1 57 280.355 2
Mid Mid (pH 6-8) 1.59 8.91 -10.07 0 5 0 56 279.347 2

Activity (Go SEA)

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