UCSF

ZINC58946456

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 29 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) 5.21 10.82 -13.06 1 5 0 62 450.391 4
Mid Mid (pH 6-8) 5.21 11.35 -13.34 1 5 0 62 450.391 4

Activity (Go SEA)

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