UCSF

ZINC35661364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 3.12 5.52 -35.45 3 4 1 55 281.42 7
Hi High (pH 8-9.5) 3.12 4.35 -8.85 2 4 0 50 280.412 7

Activity (Go SEA)

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