UCSF

ZINC37822188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.39 5.68 -42.03 3 4 1 61 284.383 5
Mid Mid (pH 6-8) -0.39 5.33 -10.73 2 4 0 59 283.375 5
Lo Low (pH 4.5-6) -0.39 6.15 -93.53 4 4 2 62 285.391 5

Activity (Go SEA)

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