UCSF

ZINC19788543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 27 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) 2.46 4.13 -48.44 1 7 -1 104 365.365 4
Hi High (pH 8-9.5) 2.46 4.94 -112.84 0 7 -2 107 364.357 4
Lo Low (pH 4.5-6) 2.00 5.89 -14.81 2 7 0 101 366.373 4

Activity (Go SEA)

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