UCSF

ZINC33446057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 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) 3.21 9.46 -44.73 0 9 -1 114 483.884 7
Lo Low (pH 4.5-6) 3.21 8.33 -24.62 1 9 0 111 484.892 7

Activity (Go SEA)

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