UCSF

ZINC52504716

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) 2.87 4.81 -27.85 2 3 1 29 245.431 9
Hi High (pH 8-9.5) 2.87 3.25 -1.07 1 3 0 24 244.423 9

Activity (Go SEA)

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