UCSF

ZINC37852225

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.06 1.85 -48.02 3 5 1 59 295.403 8
Hi High (pH 8-9.5) 1.06 0.45 -7.14 2 5 0 54 294.395 8
Lo Low (pH 4.5-6) 1.06 2.71 -40.13 3 5 1 55 295.403 8

Activity (Go SEA)

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