UCSF

ZINC36990259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.26 4.26 -97.5 4 5 2 53 298.475 5
Lo Low (pH 4.5-6) 1.26 6.43 -176.4 5 5 3 55 299.483 5

Activity (Go SEA)

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