UCSF

ZINC65535935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 17 Yes

Other Names:

MFCD01225248

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) 2.28 8.4 -96.34 2 3 2 22 238.375 6
Mid Mid (pH 6-8) 2.28 6.37 -35.06 1 3 1 21 237.367 6
Mid Mid (pH 6-8) 2.28 5.94 -35.7 1 3 1 21 237.367 6

Activity (Go SEA)

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

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