UCSF

ZINC37857637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 31 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) 5.61 11.82 -41.5 2 5 1 64 424.561 9
Mid Mid (pH 6-8) 5.61 12.68 -29.94 1 5 0 67 423.553 9

Activity (Go SEA)

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