UCSF

ZINC37140360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 0.76 3.34 -99.04 5 5 2 67 298.475 6
Lo Low (pH 4.5-6) 0.76 5.53 -176.29 6 5 3 69 299.483 6

Activity (Go SEA)

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