UCSF

ZINC59731820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.62 8.61 -57.19 5 9 0 155 443.585 21
Hi High (pH 8-9.5) 1.62 7.48 -63.35 4 9 -1 151 442.577 21

Activity (Go SEA)

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