UCSF

ZINC43473890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 2.63 2.66 -11.8 3 4 0 72 345.193 3
Mid Mid (pH 6-8) 2.63 3.1 -47.55 2 4 -1 74 344.185 3

Activity (Go SEA)

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