UCSF

ZINC27270964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 23 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) 2.75 3.67 -16.68 2 6 0 74 422.226 3
Lo Low (pH 4.5-6) 2.75 4.12 -49.52 3 6 1 76 423.234 3

Activity (Go SEA)

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