UCSF

ZINC19668746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 Yes

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) 1.67 2.97 -41.07 3 4 1 49 279.404 6
Hi High (pH 8-9.5) 1.67 1.64 -6.16 2 4 0 45 278.396 6
Lo Low (pH 4.5-6) 1.67 5.56 -123.81 4 4 2 51 280.412 6

Activity (Go SEA)

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