UCSF

ZINC44675916

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 17 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) 1.07 5.23 -105.72 4 3 2 42 234.343 4
Hi High (pH 8-9.5) 1.07 3.89 -42.44 3 3 1 38 233.335 4
Hi High (pH 8-9.5) 1.07 2.52 -4.52 2 3 0 33 232.327 4
Mid Mid (pH 6-8) 1.07 3.86 -38.12 3 3 1 38 233.335 4

Activity (Go SEA)

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