UCSF

ZINC43408767

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.54 7.34 -14.22 2 5 0 60 301.419 4
Mid Mid (pH 6-8) 1.54 7.75 -36.12 3 5 1 61 302.427 4

Activity (Go SEA)

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