UCSF

ZINC39917173

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.71 10.19 -38.64 1 4 1 26 404.365 4
Mid Mid (pH 6-8) 4.71 10.06 -30.1 1 4 1 26 404.365 4
Mid Mid (pH 6-8) 4.71 7.82 -8.58 0 4 0 24 403.357 4
Lo Low (pH 4.5-6) 4.71 10.86 -78.28 2 4 2 27 405.373 4

Activity (Go SEA)

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