UCSF

ZINC04671545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2005 21 Yes

Other Names:

MFCD05884508

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) 1.77 5.34 -56.42 2 5 1 61 294.371 4
Hi High (pH 8-9.5) 1.77 4.04 -11.05 1 5 0 57 293.363 4

Activity (Go SEA)

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