UCSF

ZINC20239701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 Yes

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) 1.40 7.04 -63.1 2 9 1 98 486.618 8
Mid Mid (pH 6-8) 1.40 7.1 -56.59 2 9 1 98 486.618 8
Mid Mid (pH 6-8) 1.40 4.72 -20.35 1 9 0 97 485.61 8

Activity (Go SEA)

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

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