UCSF

ZINC63001350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 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) 2.89 5.99 -26.23 3 4 1 59 280.351 4
Mid Mid (pH 6-8) 2.89 5.91 -10.79 2 4 0 58 279.343 4
Mid Mid (pH 6-8) 2.89 6.02 -27.92 3 4 1 59 280.351 4

Activity (Go SEA)

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

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