UCSF

ZINC33757982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 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) 3.05 9.31 -54.1 0 6 -1 83 407.49 8
Lo Low (pH 4.5-6) 3.05 8.02 -18.52 1 6 0 80 408.498 8

Activity (Go SEA)

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