UCSF

ZINC19391411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 2.05 5.91 -41.18 2 3 1 34 280.23 7
Hi High (pH 8-9.5) 2.05 3.68 -8.29 1 3 0 32 279.222 7

Activity (Go SEA)

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