UCSF

ZINC33698683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 3.48 12.09 -41.77 0 7 -1 100 455.49 7
Lo Low (pH 4.5-6) 3.48 10.95 -21.11 1 7 0 97 456.498 7
Lo Low (pH 4.5-6) 3.48 11.39 -53.64 2 7 1 98 457.506 7

Activity (Go SEA)

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