UCSF

ZINC44679400

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 13 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) -0.31 2.24 -83.55 5 3 2 44 185.315 5
Hi High (pH 8-9.5) -0.31 -0.25 -42.03 4 3 1 43 184.307 5
Lo Low (pH 4.5-6) -0.31 3.36 -189.92 6 3 3 49 186.323 5

Activity (Go SEA)

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