UCSF

ZINC34960442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 2.23 6.75 -102 4 2 2 32 200.37 9
Hi High (pH 8-9.5) 2.23 6.36 -30.44 3 2 1 30 199.362 9
Hi High (pH 8-9.5) 2.23 4.66 -41.24 3 2 1 31 199.362 9

Activity (Go SEA)

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