UCSF

ZINC49719133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 26 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) 3.60 5.94 -10.93 0 5 0 50 394.924 5
Mid Mid (pH 6-8) 3.60 8.14 -47.69 1 5 1 51 395.932 5

Activity (Go SEA)

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