UCSF

ZINC04276014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 1.03 3.81 -29.14 1 9 0 115 392.371 5
Hi High (pH 8-9.5) 1.10 1.65 -72.9 0 9 -1 121 391.363 5

Activity (Go SEA)

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