UCSF

ZINC08846784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 3.84 2.85 -13.04 0 6 0 70 440.499 8
Lo Low (pH 4.5-6) 3.84 2.96 -44.83 1 6 1 71 441.507 8

Activity (Go SEA)

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