UCSF

ZINC55556785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 27 Yes

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) 4.73 10.52 -7.76 1 4 0 49 367.537 8
Mid Mid (pH 6-8) 5.19 10.35 -38.42 1 4 0 53 367.537 8

Activity (Go SEA)

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