UCSF

ZINC33670471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.72 12.19 -40.09 0 5 -1 73 411.481 6
Lo Low (pH 4.5-6) 3.72 11.05 -17.04 1 5 0 71 412.489 6

Activity (Go SEA)

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