UCSF

ZINC21784035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 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) 1.73 -0.27 -42.14 3 7 -1 118 342.356 3
Lo Low (pH 4.5-6) 1.27 1.66 -13.86 4 7 0 115 343.364 3
Lo Low (pH 4.5-6) 1.27 1.14 -19.49 4 7 0 115 343.364 3

Activity (Go SEA)

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