UCSF

ZINC33775597

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 3.09 9.62 -57.86 0 9 -1 122 467.479 8
Lo Low (pH 4.5-6) 3.09 8.33 -24.09 1 9 0 119 468.487 8

Activity (Go SEA)

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