UCSF

ZINC13116270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 31 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) 4.33 10.73 -56.37 3 7 1 89 444.577 8
Hi High (pH 8-9.5) 4.33 8.53 -19.55 2 7 0 88 443.569 8

Activity (Go SEA)

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