UCSF

ZINC08772078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 31 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) 3.03 10.64 -48.34 0 9 -1 132 422.348 5
Lo Low (pH 4.5-6) 3.03 9.82 -15.91 1 9 0 129 423.356 5

Activity (Go SEA)

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