UCSF

ZINC72099261

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 31 No

Other Names:

MFCD00084678

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) -4.41 -3.59 -379.09 3 18 -4 284 504.134 8
Hi High (pH 8-9.5) -4.04 -5.65 -447.52 2 18 -5 288 503.126 8
Mid Mid (pH 6-8) -4.41 -4.74 -242.01 4 18 -3 282 505.142 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.