UCSF

ZINC62038586

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.17 8.65 -18.03 3 6 0 95 486.018 5
Hi High (pH 8-9.5) 6.62 7.32 -49.15 2 6 -1 98 485.01 5

Activity (Go SEA)

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