UCSF

ZINC34807525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 25 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) 3.66 9.81 -49.88 2 4 1 46 359.877 5
Hi High (pH 8-9.5) 3.66 8.74 -9.43 1 4 0 42 358.869 5

Activity (Go SEA)

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