UCSF

ZINC43395889

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) -1.03 0.01 -44.83 6 5 1 96 221.284 3
Mid Mid (pH 6-8) -1.03 0.3 -89.21 7 5 2 97 222.292 3

Activity (Go SEA)

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