UCSF

ZINC08964838

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.78 -10.66 -22.49 6 13 0 182 459.463 8
Lo Low (pH 4.5-6) 0.78 -10.51 -45.52 7 13 1 183 460.471 8
Lo Low (pH 4.5-6) 0.78 -10.51 -45.89 7 13 1 183 460.471 8

Activity (Go SEA)

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