UCSF

ZINC33534161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 3.95 10.13 -61.94 1 7 -1 99 472.517 9
Lo Low (pH 4.5-6) 3.95 8.84 -23.5 2 7 0 96 473.525 9

Activity (Go SEA)

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