UCSF

ZINC20135520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 37 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) 3.22 10.47 -54.42 1 9 0 102 512.603 12
Hi High (pH 8-9.5) 3.22 8.27 -44.28 0 9 -1 101 511.595 12

Activity (Go SEA)

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