UCSF

ZINC00346144

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 2.32 -0.58 -9.15 1 3 0 42 214.268 3
Lo Low (pH 4.5-6) 2.32 -0.48 -33.22 2 3 1 43 215.276 3

Activity (Go SEA)

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