UCSF

ZINC09308280

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 29 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) 3.52 9.39 -13.22 2 8 0 121 427.511 8
Hi High (pH 8-9.5) 3.52 9.19 -44.67 1 8 -1 119 426.503 8

Activity (Go SEA)

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