UCSF

ZINC20838920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 2.70 9.5 -21.33 1 7 0 86 388.522 6
Hi High (pH 8-9.5) 2.88 8.43 -49.76 0 7 -1 92 387.514 6

Activity (Go SEA)

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