UCSF

ZINC37857369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 29 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) 4.96 11.83 -43.57 2 4 1 55 406.889 5
Mid Mid (pH 6-8) 4.96 12.39 -26.21 1 4 0 58 405.881 5

Activity (Go SEA)

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