UCSF

ZINC58210766

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 26 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) 2.16 7.71 -14.27 2 6 0 78 354.454 3
Lo Low (pH 4.5-6) 2.16 8.2 -54.51 3 6 1 79 355.462 3

Activity (Go SEA)

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