UCSF

ZINC20030679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 23 Yes

Other Names:

MFCD09757815

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) 3.16 10.25 -13.57 0 4 0 38 311.36 3
Lo Low (pH 4.5-6) 3.16 10.66 -34.48 1 4 1 39 312.368 3

Activity (Go SEA)

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