UCSF

ZINC36743666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 Yes

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) 2.74 4.13 -55.72 2 5 -1 98 300.363 4
Lo Low (pH 4.5-6) 2.74 4.12 -12.46 3 5 0 96 301.371 4

Activity (Go SEA)

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