UCSF

ZINC43408307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 3.18 6.65 -11.29 3 3 0 51 263.41 5
Mid Mid (pH 6-8) 3.18 6.99 -35.34 4 3 1 52 264.418 5

Activity (Go SEA)

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