UCSF

ZINC34612815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) -2.62 4.82 -54.06 1 6 -1 94 216.213 6
Hi High (pH 8-9.5) -2.62 2.75 -113.52 0 6 -2 93 215.205 6

Activity (Go SEA)

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