UCSF

ZINC91301615

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2013 14 Yes

Other Names:

MFCD00044689

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) -0.24 1.39 -35.52 4 5 0 97 194.19 3
Mid Mid (pH 6-8) -0.24 1.06 -46.43 3 5 -1 95 193.182 3

Activity (Go SEA)

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

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