UCSF

ZINC44686730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.74 9.59 -34.61 2 2 1 16 291.846 5
Hi High (pH 8-9.5) 3.74 7.18 -1.99 1 2 0 15 290.838 5
Lo Low (pH 4.5-6) 3.74 8.2 -42.28 2 2 1 20 291.846 5

Activity (Go SEA)

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