UCSF

ZINC38609877

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 36 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) 2.99 6.42 -26.75 4 9 0 131 484.512 8
Mid Mid (pH 6-8) 2.99 7.18 -65.8 3 9 -1 134 483.504 8

Activity (Go SEA)

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