UCSF

ZINC00946517

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 5.24 10.8 -9.36 1 6 0 88 387.486 5
Hi High (pH 8-9.5) 5.31 8.44 -34.96 0 6 -1 94 386.478 5

Activity (Go SEA)

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