UCSF

ZINC08846397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 4.01 5.66 -9.71 3 7 0 106 432.524 4
Lo Low (pH 4.5-6) 4.01 5.92 -57.35 4 7 1 108 433.532 4

Activity (Go SEA)

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