UCSF

ZINC20567648

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.67 9.21 -63.22 1 6 1 56 387.5 6
Hi High (pH 8-9.5) 3.67 6.3 -12.85 0 6 0 55 386.492 6
Lo Low (pH 4.5-6) 3.67 8.62 -56.1 1 6 1 56 387.5 6

Activity (Go SEA)

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