UCSF

ZINC22936343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 2.64 6.44 -52.97 3 5 1 58 348.511 9
Mid Mid (pH 6-8) 2.64 7.45 -41.59 3 5 1 55 348.511 9
Lo Low (pH 4.5-6) 2.64 8.76 -125.49 4 5 2 59 349.519 9

Activity (Go SEA)

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