UCSF

ZINC37818441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.48 0.54 -50.63 3 5 1 64 235.311 3
Hi High (pH 8-9.5) -1.48 0.13 -11.17 2 5 0 62 234.303 3
Mid Mid (pH 6-8) -1.48 2.75 -110.69 4 5 2 65 236.319 3

Activity (Go SEA)

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