UCSF

ZINC49750660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.66 8.85 -56.64 2 4 1 57 327.235 4
Mid Mid (pH 6-8) 2.66 6.6 -9.57 1 4 0 56 326.227 4

Activity (Go SEA)

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