UCSF

ZINC22779078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.01 5.8 -26.4 1 4 1 25 259.377 3
Hi High (pH 8-9.5) 2.01 5.39 -9.13 0 4 0 24 258.369 3
Mid Mid (pH 6-8) 2.01 8.12 -77.68 2 4 2 26 260.385 3
Mid Mid (pH 6-8) 2.01 8.11 -97.88 2 4 2 26 260.385 3
Mid Mid (pH 6-8) 2.01 7.71 -38.52 1 4 1 25 259.377 3

Activity (Go SEA)

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