UCSF

ZINC33553076

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 32 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) 2.51 8.36 -61.27 0 8 -1 101 442.488 11
Mid Mid (pH 6-8) 2.51 7.54 -16.72 1 8 0 98 443.496 11

Activity (Go SEA)

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