UCSF

ZINC33797874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 5.35 11.59 -57.17 0 7 -1 92 505.959 6
Lo Low (pH 4.5-6) 5.35 10.29 -21.64 1 7 0 89 506.967 6

Activity (Go SEA)

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