UCSF

ZINC38582319

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 No

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) 0.25 5.71 -36.24 3 9 -1 126 458.545 7
Mid Mid (pH 6-8) 0.25 6.17 -48.59 4 9 0 128 459.553 7

Activity (Go SEA)

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