UCSF

ZINC43395874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.82 6.35 -97.73 4 4 2 58 258.369 5
Mid Mid (pH 6-8) 0.82 5.9 -43.79 3 4 1 57 257.361 5
Lo Low (pH 4.5-6) 0.82 6.81 -179.49 5 4 3 59 259.377 5

Activity (Go SEA)

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