UCSF

ZINC28383242

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 25 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) 5.38 10 -17.81 1 3 0 54 330.383 4
Mid Mid (pH 6-8) 5.38 10.61 -49.63 0 3 -1 57 329.375 4

Activity (Go SEA)

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