UCSF

ZINC37829861

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.54 9.2 -47.93 0 4 -1 60 337.193 5
Lo Low (pH 4.5-6) 2.54 7.64 -10.33 1 4 0 58 338.201 5

Activity (Go SEA)

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