UCSF

ZINC34581616

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 No

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) 3.28 7.69 -7.88 1 3 0 41 344.867 4
Hi High (pH 8-9.5) 3.46 5.75 -46.28 0 3 -1 48 343.859 4

Activity (Go SEA)

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