UCSF

ZINC37800580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -1.05 1.57 -51.98 3 6 1 71 285.412 5
Hi High (pH 8-9.5) -1.05 1.26 -13.31 2 6 0 70 284.404 5
Mid Mid (pH 6-8) -1.05 3.74 -110.68 4 6 2 73 286.42 5

Activity (Go SEA)

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