UCSF

ZINC08594866

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 34 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) 5.81 14.29 -10.81 2 7 0 81 477.634 8
Hi High (pH 8-9.5) 5.98 14.14 -40.25 1 7 -1 83 476.626 8

Activity (Go SEA)

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