UCSF

ZINC22457885

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 28 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) 4.27 10.56 -36.02 2 5 1 40 385.576 5
Hi High (pH 8-9.5) 4.27 8.34 -6.74 1 5 0 39 384.568 5
Lo Low (pH 4.5-6) 4.27 10.88 -81.07 3 5 2 41 386.584 5

Activity (Go SEA)

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