UCSF

ZINC41055184

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 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) 3.39 5.26 -34.87 4 4 1 69 278.335 3
Hi High (pH 8-9.5) 3.39 4.9 -13.33 3 4 0 68 277.327 3

Activity (Go SEA)

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