UCSF

ZINC29135994

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 40 No

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) 7.80 18.34 -43.27 2 8 1 91 561.106 10
Hi High (pH 8-9.5) 7.80 15.78 -14.19 1 8 0 89 560.098 10

Activity (Go SEA)

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