UCSF

ZINC42765692

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.61 5.88 -56.33 4 4 1 60 320.36 7
Mid Mid (pH 6-8) 2.61 3.92 -21.01 3 4 0 58 319.352 7

Activity (Go SEA)

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