UCSF

ZINC39911846

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 6.10 11.83 -14.57 2 7 0 88 491.632 10
Hi High (pH 8-9.5) 5.87 12.16 -57.89 0 7 -1 87 490.624 10
Hi High (pH 8-9.5) 5.87 12.17 -51.24 0 7 -1 87 490.624 10
Hi High (pH 8-9.5) 6.10 12.86 -44.05 1 7 -1 91 490.624 10

Activity (Go SEA)

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