UCSF

ZINC57211623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.11 12.14 -9.64 1 4 0 33 342.446 5
Mid Mid (pH 6-8) 4.11 12.64 -29.94 2 4 1 34 343.454 5
Lo Low (pH 4.5-6) 4.11 13.38 -46.21 3 4 0 36 344.462 5

Activity (Go SEA)

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