UCSF

ZINC20310667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 29 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) 3.07 9.81 -86.76 2 6 0 85 394.471 7
Hi High (pH 8-9.5) 3.07 10.83 -142.12 1 6 -1 88 393.463 7

Activity (Go SEA)

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