UCSF

ZINC36213667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 37 No

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) 4.48 14.91 -52.24 1 9 1 100 523.997 6
Mid Mid (pH 6-8) 4.48 12.66 -16.25 0 9 0 99 522.989 6

Activity (Go SEA)

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