UCSF

ZINC19528173

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 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) 2.51 7.1 -39.64 2 4 1 37 290.431 5
Hi High (pH 8-9.5) 2.51 4.83 -8.34 1 4 0 36 289.423 5
Mid Mid (pH 6-8) 2.51 7.09 -42.14 2 4 1 37 290.431 5

Activity (Go SEA)

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