UCSF

ZINC27738694

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 23 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) 2.50 8.3 -47.85 4 5 1 83 321.441 10
Hi High (pH 8-9.5) 2.50 7.97 -11.93 3 5 0 81 320.433 10

Activity (Go SEA)

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