UCSF

ZINC69476359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 13 No

Other Names:

MFCD18262163

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) 0.99 1.46 -9.65 1 4 0 63 174.159 1
Hi High (pH 8-9.5) 0.99 2.46 -46.68 0 4 -1 66 173.151 1

Activity (Go SEA)

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

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