UCSF

ZINC40975814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 32 Yes

Other Names:

SR-125543A

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) 6.84 17.15 -7.44 0 3 0 25 448.607 8
Lo Low (pH 4.5-6) 6.84 17.13 -28.63 1 3 1 27 449.615 8

Activity (Go SEA)

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