UCSF

ZINC34837465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 28 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) 3.44 8.05 -56.66 4 6 1 91 368.42 3
Hi High (pH 8-9.5) 3.44 7.65 -8.74 3 6 0 89 367.412 3

Activity (Go SEA)

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