UCSF

ZINC37832804

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 3.61 9.97 -56.28 0 4 -1 60 353.236 6
Lo Low (pH 4.5-6) 3.61 8.57 -13.07 1 4 0 58 354.244 6

Activity (Go SEA)

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