UCSF

ZINC36890446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.14 8.62 -10.87 0 3 0 31 292.169 3
Lo Low (pH 4.5-6) 3.14 9.05 -35.42 1 3 1 32 293.177 3

Activity (Go SEA)

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