UCSF

ZINC37852239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.09 0.03 -43.9 3 5 1 59 261.386 9
Hi High (pH 8-9.5) 0.09 -1.37 -5.51 2 5 0 54 260.378 9
Lo Low (pH 4.5-6) 0.09 0.88 -37.8 3 5 1 55 261.386 9

Activity (Go SEA)

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