UCSF

ZINC22172594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 2.31 7.1 -127.77 4 3 2 41 264.413 5
Hi High (pH 8-9.5) 2.31 6.99 -32 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 2.31 5.31 -49.92 3 3 1 40 263.405 5

Activity (Go SEA)

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