UCSF

ZINC18067223

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 28 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) 2.92 8.37 -63.9 0 5 -1 70 380.395 5
Mid Mid (pH 6-8) 2.33 9.27 -25.86 0 5 0 64 381.403 5

Activity (Go SEA)

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