UCSF

ZINC06062164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 29 Yes

Other Names:

MFCD02358649

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) 5.93 10.1 -13.51 1 4 0 60 398.336 4
Hi High (pH 8-9.5) 5.93 10.9 -37.58 0 4 -1 63 397.328 4

Activity (Go SEA)

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