UCSF

ZINC53156140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 2.80 5.71 -8.38 1 2 0 36 226.682 4
Lo Low (pH 4.5-6) 2.80 6.93 -62.21 2 2 1 40 227.69 4

Activity (Go SEA)

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