UCSF

ZINC45630601

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.33 7.22 -41.45 2 3 1 39 261.389 5
Hi High (pH 8-9.5) 3.33 5.92 -4.11 1 3 0 34 260.381 5
Lo Low (pH 4.5-6) 3.33 7.73 -113.67 3 3 2 40 262.397 5

Activity (Go SEA)

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