UCSF

ZINC00191772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2005 24 No

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) 2.44 6.78 -46.69 0 5 -1 67 337.38 3
Lo Low (pH 4.5-6) 1.99 8.56 -10.19 1 5 0 64 338.388 3

Activity (Go SEA)

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