UCSF

ZINC34679082

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 36 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) 5.16 16.89 -13.51 0 6 0 53 501.597 4
Lo Low (pH 4.5-6) 5.16 17.33 -34.87 1 6 1 54 502.605 4
Lo Low (pH 4.5-6) 5.16 17.27 -36.35 1 6 1 54 502.605 4

Activity (Go SEA)

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