UCSF

ZINC33752977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 31 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) 2.92 10.06 -52.44 0 6 -1 83 413.453 7
Lo Low (pH 4.5-6) 2.92 8.76 -18.3 1 6 0 80 414.461 7

Activity (Go SEA)

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