UCSF

ZINC37998528

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 4.33 6.69 -5.89 2 2 0 32 362.292 5
Lo Low (pH 4.5-6) 4.33 8.11 -50.13 3 2 1 37 363.3 5

Activity (Go SEA)

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