UCSF

ZINC01355497

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

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) 3.44 9.61 -9.56 1 4 0 45 343.496 4
Lo Low (pH 4.5-6) 3.44 10.01 -33.06 2 4 1 46 344.504 4

Activity (Go SEA)

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