UCSF

ZINC20900761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 1.70 5.8 -44.27 3 7 1 79 372.493 6
Hi High (pH 8-9.5) 1.70 3.53 -17.14 2 7 0 77 371.485 6

Activity (Go SEA)

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