UCSF

ZINC45655935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.92 4.02 -38.56 2 3 1 29 229.388 6
Hi High (pH 8-9.5) 1.92 5.17 -31.61 2 3 1 26 229.388 6
Lo Low (pH 4.5-6) 1.92 6.21 -102.85 3 3 2 30 230.396 6

Activity (Go SEA)

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