UCSF

ZINC34602851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 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) -4.92 3.25 -166.19 3 13 -3 201 506.536 10
Mid Mid (pH 6-8) -4.92 5.94 -131.04 4 13 -2 202 507.544 10

Activity (Go SEA)

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