UCSF

ZINC36533306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 12 Yes

Other Names:

MFCD12028603

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) 0.85 2.54 -53.04 3 3 1 45 162.216 1
Hi High (pH 8-9.5) 0.85 2.14 -9.46 2 3 0 44 161.208 1

Activity (Go SEA)

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

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