UCSF

ZINC56894865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 20 Yes

Other Names:

MFCD21091942

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) 3.37 7.93 -38.62 2 2 1 20 267.396 3
Hi High (pH 8-9.5) 3.37 6.92 -2.88 1 2 0 15 266.388 3

Activity (Go SEA)

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