UCSF

ZINC42717348

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) -0.10 4.66 -59.74 2 5 0 74 212.249 7
Hi High (pH 8-9.5) -0.10 2.4 -51.63 1 5 -1 72 211.241 7

Activity (Go SEA)

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