UCSF

ZINC10112011

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 34 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) 6.99 11.75 -54.47 1 5 -1 77 498.068 7
Mid Mid (pH 6-8) 6.99 11.3 -15.73 2 5 0 75 499.076 7

Activity (Go SEA)

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