UCSF

ZINC19999083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 30 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) 2.98 7.59 -61.11 0 6 -1 73 425.53 6
Mid Mid (pH 6-8) 2.98 9.93 -71.9 1 6 0 74 426.538 6

Activity (Go SEA)

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