UCSF

ZINC05522430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 28 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) 2.87 9.57 -55.49 1 6 -1 87 394.407 2
Hi High (pH 8-9.5) 2.94 8.17 -142.12 0 6 -2 93 393.399 2

Activity (Go SEA)

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