UCSF

ZINC42413575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 2.35 8.79 -18.67 0 3 0 43 220.268 6
Hi High (pH 8-9.5) 3.09 7.71 -57.95 0 3 -1 49 219.26 5

Activity (Go SEA)

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