UCSF

ZINC40974269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 28 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) 3.57 11.42 -77.54 1 5 -1 82 419.284 7
Mid Mid (pH 6-8) 3.57 10.59 -34.79 2 5 0 86 420.292 7

Activity (Go SEA)

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