UCSF

ZINC33765471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 3.81 12.37 -52.55 0 5 -1 73 411.481 7
Lo Low (pH 4.5-6) 3.81 11.07 -17.05 1 5 0 71 412.489 7

Activity (Go SEA)

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