UCSF

ZINC33776898

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 3.07 10.35 -55.46 0 9 -1 126 488.501 7
Lo Low (pH 4.5-6) 3.07 9.53 -16.94 1 9 0 123 489.509 7
Lo Low (pH 4.5-6) 3.07 10.78 -69.78 1 9 0 127 489.509 7

Activity (Go SEA)

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