UCSF

ZINC06119321

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 20 No

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) -0.50 2.32 -88.04 3 7 0 114 330.416 4
Mid Mid (pH 6-8) -0.50 1.97 -63.59 2 7 -1 112 329.408 4

Activity (Go SEA)

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