UCSF

ZINC37000621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.42 2.69 -55.59 5 7 1 123 288.283 4
Hi High (pH 8-9.5) 1.42 3.45 -82.02 4 7 0 126 287.275 4
Hi High (pH 8-9.5) 1.42 2.28 -8.71 4 7 0 121 287.275 4

Activity (Go SEA)

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