UCSF

ZINC37867816

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2009 24 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) 2.27 9.22 -11.68 0 7 0 98 333.34 6
Hi High (pH 8-9.5) 1.99 9.81 -51.19 0 7 -1 104 332.332 5

Activity (Go SEA)

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