UCSF

ZINC42875684

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.48 1.82 -9.68 0 6 0 57 279.292 5
Mid Mid (pH 6-8) 1.48 4.11 -50.13 1 6 1 58 280.3 5

Activity (Go SEA)

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