UCSF

ZINC04261154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 34 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) 3.99 7.91 -18.42 4 8 0 120 456.502 8
Lo Low (pH 4.5-6) 3.99 8.17 -40.05 5 8 1 121 457.51 8

Activity (Go SEA)

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