UCSF

ZINC53157828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 1.51 2.95 -47.9 3 2 1 31 229.706 2
Lo Low (pH 4.5-6) 1.51 5.28 -125.47 4 2 2 32 230.714 2
Lo Low (pH 4.5-6) 1.51 5 -41.68 3 2 1 30 229.706 2

Activity (Go SEA)

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