UCSF

ZINC33814352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 2.93 11.54 -59.98 1 8 0 91 460.534 9
Hi High (pH 8-9.5) 2.93 9.01 -47.42 0 8 -1 90 459.526 9
Lo Low (pH 4.5-6) 2.93 10.41 -56.02 2 8 1 89 461.542 9

Activity (Go SEA)

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