UCSF

ZINC27848315

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 22 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) 1.58 6.27 -9.99 1 6 0 87 295.298 2
Lo Low (pH 4.5-6) 1.58 7.09 -39.34 2 6 1 89 296.306 2

Activity (Go SEA)

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