UCSF

ZINC39869797

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.00 3.92 -17.57 2 5 0 75 311.366 3
Mid Mid (pH 6-8) 3.00 4.02 -43.5 1 5 -1 77 310.358 3

Activity (Go SEA)

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