UCSF

ZINC44510537

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 3.19 8.68 -9.14 0 3 0 27 278.783 4
Lo Low (pH 4.5-6) 3.19 9.17 -25.29 1 3 1 28 279.791 4

Activity (Go SEA)

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