UCSF

ZINC37834944

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) 2.49 8.78 -46.29 0 5 -1 74 353.192 4
Lo Low (pH 4.5-6) 2.49 6.94 -12.25 1 5 0 71 354.2 4

Activity (Go SEA)

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