UCSF

ZINC22077284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 No

Other Names:

MFCD01824218

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) 0.62 0.01 -23.24 3 6 0 112 304.279 1
Hi High (pH 8-9.5) 0.62 0.83 -51.33 2 6 -1 115 303.271 1

Activity (Go SEA)

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