UCSF

ZINC38609856

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 4.11 6.75 -13.91 3 6 0 89 411.461 4
Mid Mid (pH 6-8) 4.11 7.53 -52.89 2 6 -1 92 410.453 4

Activity (Go SEA)

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