UCSF

ZINC39879597

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.18 11.6 -11.45 1 6 0 80 520.379 4
Hi High (pH 8-9.5) 6.18 12.52 -49.88 0 6 -1 83 519.371 4

Activity (Go SEA)

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