UCSF

ZINC00967383

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 7 Yes

Other Names:

MFCD02685600

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) 0.22 -2.49 -33.03 1 3 -1 56 116.121 0
Mid Mid (pH 6-8) 0.68 -6.7 -8.49 2 3 0 53 117.129 0

Activity (Go SEA)

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

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