UCSF

ZINC05409278

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 No

Other Names:

MFCD03861280

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) 2.49 8.87 -59.13 0 5 -1 73 369.4 5
Mid Mid (pH 6-8) 2.93 -0.05 -18.78 1 5 0 70 370.408 4
Lo Low (pH 4.5-6) 2.93 0.07 -57.41 2 5 1 71 371.416 4

Activity (Go SEA)

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