UCSF

ZINC34878729

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 3.50 10.34 -19.85 2 7 0 91 500.571 10
Hi High (pH 8-9.5) 3.32 9.33 -49.25 1 7 -1 98 499.563 10

Activity (Go SEA)

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