UCSF

ZINC09329513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 29 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) 4.84 11.06 -61.28 0 5 -1 70 392.475 9
Mid Mid (pH 6-8) 4.25 1.94 -9.81 0 5 0 63 393.483 9
Lo Low (pH 4.5-6) 4.84 10.23 -12.96 1 5 0 67 393.483 9

Activity (Go SEA)

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