UCSF

ZINC37782860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.06 6.4 -37.27 2 5 1 55 277.392 4
Hi High (pH 8-9.5) 0.06 5.48 -12.98 1 5 0 50 276.384 4
Lo Low (pH 4.5-6) 0.06 6.56 -88.18 3 5 2 56 278.4 4

Activity (Go SEA)

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