UCSF

ZINC33121052

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) 1.67 4.18 -54.98 3 8 1 96 459.592 5
Hi High (pH 8-9.5) 1.67 2.76 -15.73 2 8 0 91 458.584 5

Activity (Go SEA)

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