UCSF

ZINC37795055

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) 0.69 5.35 -50.07 1 7 -1 100 273.272 3
Lo Low (pH 4.5-6) 0.69 3.36 -14.18 2 7 0 97 274.28 3

Activity (Go SEA)

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