UCSF

ZINC43800498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) -1.77 -2.27 -58.03 5 6 1 98 216.261 3
Hi High (pH 8-9.5) -1.77 -3.62 -12.56 4 6 0 93 215.253 3

Activity (Go SEA)

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