UCSF

ZINC37270271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.42 3.27 -106.94 5 6 2 81 280.372 6
Hi High (pH 8-9.5) -0.42 1.1 -64.47 4 6 1 80 279.364 6

Activity (Go SEA)

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