UCSF

ZINC01076675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 33 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) 5.08 11.11 -15.38 1 5 0 72 444.575 8
Hi High (pH 8-9.5) 5.66 12.67 -47.58 1 5 -1 78 443.567 7

Activity (Go SEA)

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