UCSF

ZINC09479185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 36 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) 2.34 8.41 -57.92 4 14 0 191 497.516 10
Hi High (pH 8-9.5) 2.34 6.06 -66.4 3 14 -1 190 496.508 10

Activity (Go SEA)

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