UCSF

ZINC42863656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 2.66 4.04 -43.98 3 3 1 44 256.439 9
Hi High (pH 8-9.5) 2.66 5.48 -30.76 3 3 1 43 256.439 9
Lo Low (pH 4.5-6) 2.66 6.22 -118.42 4 3 2 45 257.447 9

Activity (Go SEA)

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