UCSF

ZINC20795701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 4.24 9.23 -19.56 2 4 0 54 381.479 3
Lo Low (pH 4.5-6) 4.24 9.66 -35.86 3 4 1 55 382.487 3

Activity (Go SEA)

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