UCSF

ZINC31996459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 10 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) -0.93 -0.63 -33.27 4 3 1 51 145.226 2
Lo Low (pH 4.5-6) -0.93 -0.33 -117.58 5 3 2 52 146.234 2

Activity (Go SEA)

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