UCSF

ZINC34602032

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 2.69 9.49 -50.45 2 3 1 33 278.379 3
Mid Mid (pH 6-8) 2.69 7.27 -7.93 1 3 0 32 277.371 3

Activity (Go SEA)

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