UCSF

ZINC43390505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.25 4.93 -54.49 3 3 1 40 301.813 6
Mid Mid (pH 6-8) 2.25 6.73 -134.32 4 3 2 41 302.821 6

Activity (Go SEA)

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