UCSF

ZINC63761895

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.60 7.92 -39.28 2 3 1 34 314.247 6
Hi High (pH 8-9.5) 3.60 5.67 -7.23 1 3 0 32 313.239 6

Activity (Go SEA)

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