UCSF

ZINC44676637

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.52 8.8 -57.62 1 4 -1 69 286.351 4
Lo Low (pH 4.5-6) 2.52 7.5 -10.68 2 4 0 66 287.359 4

Activity (Go SEA)

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