UCSF

ZINC09411208

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 36 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) 2.24 6.14 -61.79 0 9 -1 116 513.592 9
Lo Low (pH 4.5-6) 2.24 5.38 -19.23 1 9 0 113 514.6 9

Activity (Go SEA)

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