UCSF

ZINC28766424

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 0.44 6.9 -100.36 3 7 0 106 362.405 4
Lo Low (pH 4.5-6) -3.15 5.79 -94.27 4 7 1 109 363.413 3

Activity (Go SEA)

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