UCSF

ZINC22933384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.81 9.78 -66.82 1 8 1 83 445.536 8
Hi High (pH 8-9.5) 2.81 6.91 -16.79 0 8 0 81 444.528 8
Lo Low (pH 4.5-6) 2.81 9.2 -59.15 1 8 1 83 445.536 8

Activity (Go SEA)

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