UCSF

ZINC45699480

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.66 5.98 -34.5 1 4 1 38 239.339 8
Hi High (pH 8-9.5) 1.66 5.53 -34.76 1 4 1 38 239.339 8
Hi High (pH 8-9.5) 1.66 3.51 -6.58 0 4 0 37 238.331 8
Lo Low (pH 4.5-6) 1.66 8 -102.89 2 4 2 39 240.347 8

Activity (Go SEA)

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