UCSF

ZINC43401056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.27 5.09 -33.48 4 4 1 68 219.312 4
Mid Mid (pH 6-8) 0.27 6.06 -6.17 3 4 0 66 218.304 4
Lo Low (pH 4.5-6) 0.27 5.43 -86.9 5 4 2 69 220.32 4

Activity (Go SEA)

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