UCSF

ZINC28902243

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 20 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) 3.11 2.26 -16.02 4 4 0 79 284.34 2
Lo Low (pH 4.5-6) 3.11 2.63 -38.24 5 4 1 81 285.348 2

Activity (Go SEA)

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