UCSF

ZINC09012807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 7.73 2.25 -7.84 1 2 0 28 366.508 4
Mid Mid (pH 6-8) 7.73 2.42 -25.66 2 2 1 29 367.516 4

Activity (Go SEA)

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