UCSF

ZINC36881988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

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) 3.31 4.88 -36.67 0 3 -1 48 301.602 5
Lo Low (pH 4.5-6) 3.31 4.74 -10.72 1 3 0 46 302.61 5

Activity (Go SEA)

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