UCSF

ZINC23566139

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 35 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) 4.22 8.03 -18.52 3 10 0 127 495.561 10
Hi High (pH 8-9.5) 4.22 7.88 -51.54 2 10 -1 126 494.553 10

Activity (Go SEA)

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