UCSF

ZINC20830222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 3.33 7.1 -13.64 1 4 0 45 315.442 3
Mid Mid (pH 6-8) 3.33 9.32 -44.17 2 4 1 46 316.45 3

Activity (Go SEA)

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