UCSF

ZINC36089866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 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) 3.82 7.92 -46.16 2 4 1 37 399.367 5
Mid Mid (pH 6-8) 3.82 5.54 -8.86 1 4 0 36 398.359 5
Mid Mid (pH 6-8) 3.82 7.89 -43.55 2 4 1 37 399.367 5

Activity (Go SEA)

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