UCSF

ZINC44247018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 46 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) 3.74 11.84 -54.08 4 12 1 179 641.738 11
Mid Mid (pH 6-8) 3.74 11.5 -17.11 3 12 0 178 640.73 11
Lo Low (pH 4.5-6) 3.74 12.31 -95.62 5 12 2 180 642.746 11

Activity (Go SEA)

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