UCSF

ZINC45687780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.19 7.49 -106.02 4 3 2 35 279.472 8
Hi High (pH 8-9.5) 1.19 6.75 -33.72 3 3 1 34 278.464 8
Hi High (pH 8-9.5) 1.19 6.83 -34.82 3 3 1 34 278.464 8
Hi High (pH 8-9.5) 1.19 5.01 -40.99 3 3 1 34 278.464 8
Hi High (pH 8-9.5) 1.19 4.62 -1.9 2 3 0 32 277.456 8
Lo Low (pH 4.5-6) 1.19 9.35 -238.28 5 3 3 37 280.48 8

Activity (Go SEA)

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