UCSF

ZINC37852206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.98 1.4 -44.07 3 5 1 59 289.44 10
Hi High (pH 8-9.5) 0.98 -0.01 -5.34 2 5 0 54 288.432 10
Lo Low (pH 4.5-6) 0.98 2.25 -37.63 3 5 1 55 289.44 10

Activity (Go SEA)

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