UCSF

ZINC16741467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 4.52 10.08 -12.56 1 5 0 67 391.467 9
Mid Mid (pH 6-8) 3.93 10.76 -18.47 0 5 0 64 391.467 9

Activity (Go SEA)

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