UCSF

ZINC37828826

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.69 4.31 -14.53 1 5 0 53 303.834 8
Mid Mid (pH 6-8) 1.69 6.45 -50.11 2 5 1 54 304.842 8

Activity (Go SEA)

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