UCSF

ZINC37079771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.63 8.3 -123.64 4 2 2 32 256.393 5
Mid Mid (pH 6-8) 2.63 8.01 -29.86 3 2 1 30 255.385 5
Mid Mid (pH 6-8) 2.63 5.69 -45.34 3 2 1 31 255.385 5

Activity (Go SEA)

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

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