UCSF

ZINC01565640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 16 No

Other Names:

MFCD09753380

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) -0.50 0.39 -10.52 4 6 0 93 243.698 4
Lo Low (pH 4.5-6) -0.50 0.69 -38.88 5 6 1 94 244.706 4
Lo Low (pH 4.5-6) -0.50 -2.95 -36.31 5 6 1 94 244.706 4

Activity (Go SEA)

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