UCSF

ZINC01118051

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 26 No

Other Names:

MFCD03213469

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) 2.93 8.49 -59.81 0 5 -1 74 364.402 5
Lo Low (pH 4.5-6) 2.93 7.74 -13.65 1 5 0 71 365.41 5

Activity (Go SEA)

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