UCSF

ZINC27976973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 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) 3.69 8.49 -12.18 1 4 0 55 359.454 4
Lo Low (pH 4.5-6) 3.69 8.88 -45.16 2 4 1 56 360.462 4

Activity (Go SEA)

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