UCSF

ZINC43417140

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 Yes

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) 0.88 6.08 -51.13 3 4 1 57 223.344 6
Mid Mid (pH 6-8) 0.88 6.47 -90.95 4 4 2 58 224.352 6

Activity (Go SEA)

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