UCSF

ZINC44826051

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 3.02 7.57 -39.33 2 4 1 57 278.42 6
Hi High (pH 8-9.5) 2.87 6.61 -42.63 1 4 0 64 277.412 6

Activity (Go SEA)

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