UCSF

ZINC05923856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 34 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) 5.52 5.58 -20.84 4 9 0 134 537.407 11
Hi High (pH 8-9.5) 5.52 6.35 -52.81 3 9 -1 137 536.399 11

Activity (Go SEA)

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