UCSF

ZINC37054320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.51 6.91 -10.71 1 4 0 51 274.295 5
Lo Low (pH 4.5-6) 2.51 7.08 -45.14 2 4 1 52 275.303 5

Activity (Go SEA)

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