UCSF

ZINC43427001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.90 7.81 -5.24 0 3 0 25 266.772 2
Mid Mid (pH 6-8) 2.90 8.28 -32.08 1 3 1 27 267.78 2

Activity (Go SEA)

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