UCSF

ZINC37087900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.89 7.22 -60.26 2 4 0 57 282.409 6
Lo Low (pH 4.5-6) 1.89 8.27 -93.41 3 4 1 61 283.417 6

Activity (Go SEA)

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