UCSF

ZINC33492098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 4.66 13.27 -50.49 1 5 0 65 485.422 9
Lo Low (pH 4.5-6) 4.66 12.14 -45.12 2 5 1 62 486.43 9

Activity (Go SEA)

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