UCSF

ZINC03634052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 14 No

Download: MOL2 SDF SMILES Flexibase

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) 3.13 9.21 -38.77 1 1 1 4 212.744 6
Mid Mid (pH 6-8) 3.13 7.06 -2.09 0 1 0 3 211.736 6

Activity (Go SEA)

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