UCSF

ZINC01888780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 29 Yes

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) 5.92 -1.82 -8.94 0 4 0 41 402.567 6
Lo Low (pH 4.5-6) 5.92 -1.71 -24.81 1 4 1 43 403.575 6

Activity (Go SEA)

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