UCSF

ZINC39911530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 5.42 7.89 -14.95 3 7 0 99 463.578 10
Hi High (pH 8-9.5) 5.42 8.85 -46.11 2 7 -1 102 462.57 10

Activity (Go SEA)

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