UCSF

ZINC39541252

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 23 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) 2.70 4.02 -33.88 2 4 1 31 326.549 7
Hi High (pH 8-9.5) 2.70 4.45 -32.77 2 4 1 31 326.549 7
Mid Mid (pH 6-8) 2.70 6.24 -83.98 3 4 2 32 327.557 7

Activity (Go SEA)

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