UCSF

ZINC37010557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.15 8.25 -54.11 2 5 1 72 265.333 9
Hi High (pH 8-9.5) 2.15 7.05 -8.3 1 5 0 67 264.325 9

Activity (Go SEA)

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