UCSF

ZINC31338726

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 29 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) 3.34 9.67 -51.29 3 5 1 63 388.491 6
Mid Mid (pH 6-8) 3.34 7.4 -12.48 2 5 0 61 387.483 6

Activity (Go SEA)

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