UCSF

ZINC20229267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 4.38 11.73 -67.81 1 6 0 74 501.421 10
Hi High (pH 8-9.5) 4.38 9.52 -58.84 0 6 -1 73 500.413 10
Lo Low (pH 4.5-6) 4.38 10.92 -48.38 2 6 1 71 502.429 10

Activity (Go SEA)

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