UCSF

ZINC43401112

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) -0.36 4.92 -40.11 4 5 1 81 256.333 4
Mid Mid (pH 6-8) -0.36 5.95 -9.39 3 5 0 79 255.325 4
Lo Low (pH 4.5-6) -0.36 5.38 -78.83 5 5 2 82 257.341 4

Activity (Go SEA)

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