UCSF

ZINC01416649

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 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) 4.31 12.47 -21.67 1 5 0 60 446.553 6
Hi High (pH 8-9.5) 4.38 11.84 -63.18 0 5 -1 67 445.545 6

Activity (Go SEA)

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