UCSF

ZINC42913019

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 0.32 3.49 -124.53 5 3 2 52 254.349 3
Hi High (pH 8-9.5) 0.32 3.18 -39.05 4 3 1 51 253.341 3
Hi High (pH 8-9.5) 0.32 2.03 -47.94 4 3 1 51 253.341 3

Activity (Go SEA)

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