UCSF

ZINC33286894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 14 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) -0.09 8.59 -12.03 0 1 0 4 221.35 1
Ref Reference (pH 7) -0.07 8.32 -28.12 0 1 1 4 222.358 2
Mid Mid (pH 6-8) -0.09 7.75 -23.68 0 1 1 4 222.358 1

Activity (Go SEA)

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