UCSF

ZINC36986540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.83 6.43 -10.62 2 3 0 53 308.491 5
Mid Mid (pH 6-8) 4.52 6.27 -7.95 3 3 0 55 308.491 5

Activity (Go SEA)

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