UCSF

ZINC55539468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 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) 3.49 10.73 -21.45 1 8 0 96 427.464 5
Mid Mid (pH 6-8) 3.49 11.16 -38.27 2 8 1 97 428.472 5

Activity (Go SEA)

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