UCSF

ZINC19956553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 32 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) 5.04 8.48 -52.23 1 8 -1 112 468.584 5
Lo Low (pH 4.5-6) 5.04 9.14 -15.96 2 8 0 110 469.592 5

Activity (Go SEA)

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