UCSF

ZINC31871843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 38 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) 6.66 17.13 -15.57 0 6 0 59 504.586 5
Mid Mid (pH 6-8) 6.66 17.28 -80.92 1 6 0 60 505.594 5

Activity (Go SEA)

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