UCSF

ZINC21816963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 Yes

Other Names:

MFCD12444604

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) 4.17 6.64 -7.46 2 3 0 41 291.778 5
Hi High (pH 8-9.5) 4.17 7.4 -43.44 1 3 -1 44 290.77 5

Activity (Go SEA)

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