UCSF

ZINC33767754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 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) 4.83 10.35 -40.51 0 8 -1 91 533.645 13
Mid Mid (pH 6-8) 4.83 12.68 -51.53 1 8 0 93 534.653 13
Lo Low (pH 4.5-6) 4.83 11.55 -54.66 2 8 1 90 535.661 13

Activity (Go SEA)

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