UCSF

ZINC04501349

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 21 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) 1.90 8.66 -13.93 0 6 0 79 356.487 14
Hi High (pH 8-9.5) 1.90 10.07 -165.72 0 6 -3 79 353.463 14

Activity (Go SEA)

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