UCSF

ZINC48784672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 No

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) 2.48 6.07 -39.04 3 5 1 66 282.408 5
Hi High (pH 8-9.5) 2.48 4.72 -5.86 2 5 0 61 281.4 5

Activity (Go SEA)

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