UCSF

ZINC37843333

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.16 1.55 -18.18 3 5 0 89 322.839 8
Mid Mid (pH 6-8) 1.16 1.61 -50.9 2 5 -1 91 321.831 8

Activity (Go SEA)

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