UCSF

ZINC31898854

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 28 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) 1.48 9.37 -52.62 2 7 1 82 401.512 6
Mid Mid (pH 6-8) 1.48 6.93 -18.29 1 7 0 80 400.504 6

Activity (Go SEA)

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