UCSF

ZINC39911780

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 6.13 11.09 -10.87 2 5 0 69 417.553 5
Hi High (pH 8-9.5) 6.13 12.04 -43.98 1 5 -1 72 416.545 5

Activity (Go SEA)

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