UCSF

ZINC04176558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 21 No

Other Names:

MFCD00778986

MFCD02073876

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) 3.90 7.3 -9.97 2 4 0 58 295.367 4
Ref Reference (pH 7) 4.83 7.5 -9.76 2 4 0 61 295.367 3
Hi High (pH 8-9.5) 4.83 8.28 -54.12 1 4 -1 64 294.359 3
Hi High (pH 8-9.5) 3.90 8.07 -47.36 1 4 -1 60 294.359 4
Hi High (pH 8-9.5) 4.83 8.27 -53.22 1 4 -1 64 294.359 3
Mid Mid (pH 6-8) 3.90 7.62 -36.97 3 4 1 59 296.375 4
Lo Low (pH 4.5-6) 3.90 7.64 -27.97 3 4 1 59 296.375 4
Lo Low (pH 4.5-6) 4.83 7.49 -9.89 2 4 0 61 295.367 3

Activity (Go SEA)

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