UCSF

ZINC19885196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 1.66 3.38 -53.65 3 5 1 72 305.148 6
Mid Mid (pH 6-8) 1.66 2.75 -49.24 1 5 -1 71 303.132 6
Mid Mid (pH 6-8) 1.66 4.14 -69.66 2 5 0 75 304.14 6
Mid Mid (pH 6-8) 1.66 1.98 -10.77 2 5 0 68 304.14 6

Activity (Go SEA)

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