UCSF

ZINC34989453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.40 10.16 -42.09 1 3 1 31 278.416 10
Hi High (pH 8-9.5) 4.40 8.13 -9.17 0 3 0 30 277.408 10

Activity (Go SEA)

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