UCSF

ZINC06813969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 No

Other Names:

MFCD02950564

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) 3.13 4.62 -11.22 3 6 0 101 365.396 2
Mid Mid (pH 6-8) 3.13 5.44 -33.78 4 6 1 102 366.404 2
Mid Mid (pH 6-8) 3.13 4.91 -33.36 4 6 1 102 366.404 2
Lo Low (pH 4.5-6) 3.13 5.39 -62.91 4 6 1 102 366.404 2

Activity (Go SEA)

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