UCSF

ZINC04260992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 28 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) 4.29 5.25 -17.66 3 7 0 100 403.866 9
Hi High (pH 8-9.5) 4.29 6.04 -51.84 2 7 -1 103 402.858 9

Activity (Go SEA)

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