UCSF

ZINC19836852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.77 5.47 -47.62 2 5 1 54 279.36 4
Hi High (pH 8-9.5) 1.77 4.08 -58.85 0 5 -1 56 277.344 4
Mid Mid (pH 6-8) 1.77 3.2 -13.02 1 5 0 53 278.352 4

Activity (Go SEA)

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