UCSF

ZINC42763122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.12 3.82 -47.44 3 3 1 40 289.321 5
Hi High (pH 8-9.5) 1.12 3.75 -4.97 2 3 0 38 288.313 5

Activity (Go SEA)

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