UCSF

ZINC20204342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 1.92 7.89 -61.46 2 7 1 72 409.51 6
Hi High (pH 8-9.5) 1.92 6.49 -15 1 7 0 67 408.502 6

Activity (Go SEA)

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