UCSF

ZINC37834561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.43 6.57 -47.86 0 6 -1 87 254.262 5
Lo Low (pH 4.5-6) 0.43 4.55 -11.61 1 6 0 84 255.27 5

Activity (Go SEA)

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