UCSF

ZINC19996899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Other Names:

MFCD02229729

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) 2.25 6.92 -59.98 0 6 -1 73 391.447 6
Mid Mid (pH 6-8) 2.25 9.27 -73.14 1 6 0 74 392.455 6
Lo Low (pH 4.5-6) 2.25 8.44 -53.53 2 6 1 71 393.463 6

Activity (Go SEA)

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