UCSF

ZINC25511868

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.22 9.03 -16.97 1 6 0 73 439.493 4
Hi High (pH 8-9.5) 4.29 8.1 -43.24 0 6 -1 80 438.485 4

Activity (Go SEA)

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