UCSF

ZINC06567222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 22 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) 1.91 -2.51 -25.35 5 7 0 131 302.238 1
Hi High (pH 8-9.5) 1.91 -1.73 -54.72 4 7 -1 134 301.23 1

Activity (Go SEA)

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