UCSF

ZINC42814970

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.49 7.57 -94.01 3 3 2 30 256.434 5
Hi High (pH 8-9.5) 2.49 6.52 -31.68 2 3 1 26 255.426 5
Mid Mid (pH 6-8) 2.49 5.35 -35.33 2 3 1 29 255.426 5

Activity (Go SEA)

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