UCSF

ZINC37822782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) -1.08 0.4 -45.7 3 4 1 51 196.274 2
Hi High (pH 8-9.5) -1.08 0.06 -9.07 2 4 0 50 195.266 2
Lo Low (pH 4.5-6) -1.08 2.65 -100.08 4 4 2 52 197.282 2

Activity (Go SEA)

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