UCSF

ZINC43408801

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) 1.93 6.42 -14.46 3 5 0 69 301.419 5
Mid Mid (pH 6-8) 1.93 6.73 -34.39 4 5 1 70 302.427 5

Activity (Go SEA)

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