UCSF

ZINC33593721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 25 No

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) 5.61 9.85 -9.56 1 6 0 91 373.821 3
Hi High (pH 8-9.5) 6.06 7.28 -49.94 0 6 -1 94 372.813 3

Activity (Go SEA)

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