UCSF

ZINC48655817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 3.74 5.23 -48.51 0 4 -1 57 310.782 5
Mid Mid (pH 6-8) 3.74 4.79 -11.34 1 4 0 55 311.79 5

Activity (Go SEA)

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