UCSF

ZINC08720929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 19 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 -0.44 -9.55 1 4 0 54 275.377 4
Lo Low (pH 4.5-6) 2.75 -0.34 -39.12 2 4 1 56 276.385 4

Activity (Go SEA)

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