UCSF

ZINC21526732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 35 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) 5.11 13.34 -43.58 2 7 1 72 485.693 9
Hi High (pH 8-9.5) 5.11 11.36 -11.39 1 7 0 71 484.685 9

Activity (Go SEA)

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