UCSF

ZINC37489670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 14 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) 0.75 2.91 -27.33 2 3 1 28 199.318 1
Lo Low (pH 4.5-6) 0.75 5.05 -95.85 3 3 2 29 200.326 1

Activity (Go SEA)

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