UCSF

ZINC04170134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 No

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) 2.33 4.05 -15.05 3 7 0 100 350.378 4
Lo Low (pH 4.5-6) 2.33 4.48 -42.41 4 7 1 101 351.386 4

Activity (Go SEA)

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