UCSF

ZINC37008292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.11 2.74 -40.63 3 5 1 66 274.41 5
Mid Mid (pH 6-8) 0.11 1.99 -15.04 2 5 0 61 273.402 5

Activity (Go SEA)

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