UCSF

ZINC42863542

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) 2.65 3.86 -43.84 3 3 1 44 256.439 8
Hi High (pH 8-9.5) 2.65 5.44 -29.46 3 3 1 43 256.439 8
Lo Low (pH 4.5-6) 2.65 5.61 -111.6 4 3 2 45 257.447 8

Activity (Go SEA)

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