UCSF

ZINC33812534

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 No

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) 3.25 14 -18.38 0 7 0 74 521.712 6
Mid Mid (pH 6-8) 3.25 14.47 -77.03 1 7 1 75 522.72 6

Activity (Go SEA)

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