UCSF

ZINC31960105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.60 -0.71 -54.15 3 7 -1 114 252.25 7
Mid Mid (pH 6-8) -0.60 -0.24 -68.57 4 7 0 116 253.258 7
Lo Low (pH 4.5-6) -0.60 -1.36 -42.45 5 7 1 113 254.266 7

Activity (Go SEA)

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