UCSF

ZINC69973568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 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) 2.42 7.86 -34.88 2 6 1 74 350.464 5
Hi High (pH 8-9.5) 2.42 7.46 -11.41 1 6 0 73 349.456 5

Activity (Go SEA)

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