UCSF

ZINC34527228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 2.85 5.69 -9.27 0 4 0 39 289.375 7
Mid Mid (pH 6-8) 2.85 7.97 -44.75 1 4 1 40 290.383 7

Activity (Go SEA)

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