UCSF

ZINC41681445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.13 6.99 -77.94 2 5 0 69 271.748 7
Lo Low (pH 4.5-6) 2.13 7.41 -76.78 3 5 1 71 272.756 7

Activity (Go SEA)

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