UCSF

ZINC39706460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 13 Yes

Other Names:

MFCD00460131

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) 0.66 1.58 -105.32 2 5 2 75 242.032 0
Hi High (pH 8-9.5) 0.66 0.53 -34.19 1 5 1 74 241.024 0

Activity (Go SEA)

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

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