UCSF

ZINC43427028

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 13 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) 2.08 3.85 -3.03 0 2 0 12 248.164 3
Mid Mid (pH 6-8) 2.08 6.08 -36.3 1 2 1 14 249.172 3

Activity (Go SEA)

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