UCSF

ZINC00663530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 26 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) 2.69 5.87 -14.22 2 6 0 84 376.771 4
Hi High (pH 8-9.5) 2.69 6.79 -51.39 1 6 -1 87 375.763 4
Hi High (pH 8-9.5) 2.69 7.27 -45.05 1 6 -1 87 375.763 4

Activity (Go SEA)

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