UCSF

ZINC51594011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 23 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) 0.62 3.34 -14.1 1 7 0 73 324.425 5
Mid Mid (pH 6-8) 0.62 5.55 -50.19 2 7 1 74 325.433 5

Activity (Go SEA)

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