UCSF

ZINC37792722

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) -0.86 0.29 -62.69 2 5 -1 89 172.16 4
Lo Low (pH 4.5-6) -0.86 -2.65 -14.43 3 5 0 87 173.168 4

Activity (Go SEA)

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