UCSF

ZINC33541069

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 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) 4.58 10.14 -58.72 0 8 -1 105 489.529 7
Lo Low (pH 4.5-6) 4.58 9.32 -15.96 1 8 0 102 490.537 7

Activity (Go SEA)

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