UCSF

ZINC20543232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 25 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) 3.13 6.9 -9.24 1 5 0 45 343.402 4
Mid Mid (pH 6-8) 3.13 9.14 -43.96 2 5 1 46 344.41 4

Activity (Go SEA)

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