UCSF

ZINC37795041

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.73 5.53 -48.73 1 5 -1 78 286.254 7
Lo Low (pH 4.5-6) 1.73 3.55 -12.05 2 5 0 76 287.262 7

Activity (Go SEA)

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