UCSF

ZINC52504718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 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) 2.46 5.31 -31.16 2 3 1 29 245.431 10
Hi High (pH 8-9.5) 2.46 3.74 -1.06 1 3 0 24 244.423 10

Activity (Go SEA)

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