UCSF

ZINC34959423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 0.36 2.55 -34.88 3 5 0 86 225.244 5
Hi High (pH 8-9.5) 0.36 3.3 -51.97 2 5 -1 89 224.236 5

Activity (Go SEA)

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