UCSF

ZINC45664171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.07 5.53 -86.75 4 4 2 45 281.444 10
Hi High (pH 8-9.5) 2.07 3.05 -39.76 3 4 1 43 280.436 10
Lo Low (pH 4.5-6) 2.07 7.68 -190.8 5 4 3 46 282.452 10

Activity (Go SEA)

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