UCSF

ZINC46084813

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 26 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) 3.71 7.45 -16.58 1 6 0 73 354.406 5
Hi High (pH 8-9.5) 3.71 8.58 -69.79 0 6 -1 76 353.398 5

Activity (Go SEA)

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