UCSF

ZINC55052926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.31 8.86 -37.43 1 2 1 18 216.304 4
Mid Mid (pH 6-8) 2.31 6.58 -4.32 0 2 0 16 215.296 4

Activity (Go SEA)

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