UCSF

ZINC20981538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 2.09 5.96 -21.73 2 6 0 84 318.402 5
Mid Mid (pH 6-8) 2.16 5.06 -55 1 6 -1 90 317.394 5

Activity (Go SEA)

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