UCSF

ZINC13715083

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 2.37 9.37 -58.32 2 5 1 54 356.421 4
Mid Mid (pH 6-8) 2.37 7.02 -21.38 1 5 0 53 355.413 4

Activity (Go SEA)

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