UCSF

ZINC37674465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 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) 3.99 6.89 -8.63 1 5 0 75 299.204 4
Hi High (pH 8-9.5) 3.99 7.65 -39.34 0 5 -1 78 298.196 4

Activity (Go SEA)

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