UCSF

ZINC35206313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 Yes

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) 2.07 8.5 -32.14 2 4 1 42 235.355 4
Hi High (pH 8-9.5) 2.07 6.36 -6.18 1 4 0 41 234.347 4
Lo Low (pH 4.5-6) 2.07 8.84 -83.59 3 4 2 43 236.363 4

Activity (Go SEA)

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