UCSF

ZINC44835536

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 23 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) 6.58 9.63 -9.57 1 3 0 45 383.687 2
Hi High (pH 8-9.5) 7.04 7.87 -41.22 0 3 -1 48 382.679 2

Activity (Go SEA)

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