UCSF

ZINC36231124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 13 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) 1.01 2.22 -37.42 2 3 1 29 187.307 5
Hi High (pH 8-9.5) 1.01 0.77 -2.64 1 3 0 24 186.299 5
Mid Mid (pH 6-8) 1.01 3.09 -31.86 2 3 1 26 187.307 5

Activity (Go SEA)

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