UCSF

ZINC33121000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 32 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) 2.82 6.72 -53.23 3 7 1 86 478.038 5
Hi High (pH 8-9.5) 2.82 6.79 -65.72 2 7 0 88 477.03 5
Hi High (pH 8-9.5) 2.82 5.37 -39.63 1 7 -1 84 476.022 5

Activity (Go SEA)

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