UCSF

ZINC43408667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 3.32 8.32 -11.44 3 3 0 51 297.427 4
Mid Mid (pH 6-8) 3.32 8.65 -37.24 4 3 1 52 298.435 4

Activity (Go SEA)

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