UCSF

ZINC36382345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 34 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) 6.94 16.01 -33.46 2 5 1 57 454.594 6
Mid Mid (pH 6-8) 6.94 15.56 -15.49 1 5 0 56 453.586 6

Activity (Go SEA)

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