UCSF

ZINC42909882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.76 6.96 -110.04 4 3 2 41 292.467 8
Hi High (pH 8-9.5) 2.76 7.3 -25.67 3 3 1 40 291.459 8
Hi High (pH 8-9.5) 2.76 5.81 -35.62 3 3 1 40 291.459 8

Activity (Go SEA)

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