UCSF

ZINC37991793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 Yes

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) 1.07 1.9 -13.23 1 5 0 54 283.759 4
Mid Mid (pH 6-8) 1.07 4.27 -51.61 2 5 1 56 284.767 4

Activity (Go SEA)

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