UCSF

ZINC37320444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.76 10.82 -45.78 2 3 1 34 286.443 7
Lo Low (pH 4.5-6) 2.76 11.33 -102.75 3 3 2 36 287.451 7

Activity (Go SEA)

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