UCSF

ZINC26532756

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 33 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) 3.52 8.93 -73.55 2 7 0 94 521.383 8
Hi High (pH 8-9.5) 3.52 9.69 -103.82 1 7 -1 97 520.375 8
Lo Low (pH 4.5-6) 3.52 8.1 -52.6 3 7 1 92 522.391 8

Activity (Go SEA)

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