UCSF

ZINC39917592

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) 4.81 9.64 -11.13 0 4 0 30 404.341 6
Mid Mid (pH 6-8) 4.81 11.92 -54.94 1 4 1 31 405.349 6
Lo Low (pH 4.5-6) 4.81 12.37 -108.81 2 4 2 33 406.357 6

Activity (Go SEA)

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