UCSF

ZINC35042994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.74 9.13 -34.08 2 3 1 20 276.448 8
Hi High (pH 8-9.5) 2.74 8.14 -36.79 2 3 1 23 276.448 8
Lo Low (pH 4.5-6) 2.74 10.28 -116.48 3 3 2 24 277.456 8

Activity (Go SEA)

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