UCSF

ZINC19927998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 26 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) 1.83 7.73 -72.86 1 6 0 78 358.369 6
Hi High (pH 8-9.5) 1.83 5.2 -54.79 0 6 -1 77 357.361 6
Lo Low (pH 4.5-6) 1.83 6.91 -54.18 2 6 1 75 359.377 6

Activity (Go SEA)

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