UCSF

ZINC35126030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 2.13 6.27 -44.07 1 5 -1 78 292.355 7
Lo Low (pH 4.5-6) 2.13 4.5 -7.61 2 5 0 76 293.363 7

Activity (Go SEA)

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