UCSF

ZINC34344021

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 29 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) -1.15 0.03 -164.09 13 10 3 186 418.607 20
Hi High (pH 8-9.5) -1.15 0.37 -113.06 11 10 1 188 416.591 20
Mid Mid (pH 6-8) -1.15 -0.35 -88.74 12 10 2 185 417.599 20

Activity (Go SEA)

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