UCSF

ZINC31538571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 22 Yes

Other Names:

MFCD01937584

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) 2.36 7.1 -8.66 1 3 0 46 290.366 5
Lo Low (pH 4.5-6) 2.36 8.02 -85.58 3 3 2 49 292.382 5
Lo Low (pH 4.5-6) 2.36 7.01 -40.11 2 3 1 47 291.374 5

Activity (Go SEA)

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