UCSF

ZINC41612193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 Yes

Other Names:

MFCD16477198

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) 2.81 7.21 -45.46 2 2 1 34 222.283 4
Mid Mid (pH 6-8) 2.81 6 -6.07 1 2 0 29 221.275 4

Activity (Go SEA)

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

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