UCSF

ZINC34953736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 3.60 12.14 -58.58 0 8 -1 113 488.545 8
Lo Low (pH 4.5-6) 3.60 11.25 -15.79 1 8 0 110 489.553 8

Activity (Go SEA)

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