UCSF

ZINC39745942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 3.32 9.27 -48.97 1 7 1 69 467.615 4
Mid Mid (pH 6-8) 3.32 7.03 -18.04 0 7 0 68 466.607 4

Activity (Go SEA)

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