UCSF

ZINC19332894

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 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) 3.44 7.84 -30.61 2 4 1 37 346.47 2
Mid Mid (pH 6-8) 3.44 6.04 -7.09 1 4 0 36 345.462 2
Lo Low (pH 4.5-6) 3.44 9.55 -103.17 3 4 2 38 347.478 2

Activity (Go SEA)

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