UCSF

ZINC20588214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 17 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) 2.35 8.15 -13.85 3 4 0 60 254.403 4
Hi High (pH 8-9.5) 3.07 7.99 -45.28 2 4 -1 57 253.395 4

Activity (Go SEA)

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