UCSF

ZINC42863636

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
Hi High (pH 8-9.5) 0.44 -0.43 -44.24 3 4 1 47 267.422 4
Hi High (pH 8-9.5) 0.44 1.65 -38 3 4 1 47 267.422 4
Mid Mid (pH 6-8) 0.44 3.32 -95.9 4 4 2 48 268.43 4
Mid Mid (pH 6-8) 0.44 2 -113.34 4 4 2 48 268.43 4

Activity (Go SEA)

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