UCSF

ZINC19471489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 0.65 2.27 -17.76 4 6 0 97 290.348 4
Hi High (pH 8-9.5) 0.47 1.19 -45.7 3 6 -1 103 289.34 4

Activity (Go SEA)

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