UCSF

ZINC13727827

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 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) 3.16 7.96 -16.48 0 7 0 74 430.46 5
Lo Low (pH 4.5-6) 3.16 11.27 -119.25 2 7 2 76 432.476 5
Lo Low (pH 4.5-6) 3.16 8.43 -47.82 1 7 1 75 431.468 5

Activity (Go SEA)

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