UCSF

ZINC37836070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.66 8.28 -70.83 1 5 0 65 268.357 5
Lo Low (pH 4.5-6) 0.66 6.3 -43.69 2 5 1 62 269.365 5

Activity (Go SEA)

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