UCSF

ZINC27601875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 22 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) 2.33 5.83 -9.25 1 5 0 54 303.406 3
Lo Low (pH 4.5-6) 2.33 6.11 -42.95 2 5 1 56 304.414 3

Activity (Go SEA)

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