UCSF

ZINC43899748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.01 6.84 -107.94 3 3 2 30 256.434 4
Hi High (pH 8-9.5) 3.00 4.39 -0.95 1 3 0 24 254.418 4
Hi High (pH 8-9.5) 3.00 4.7 -34.72 2 3 1 29 255.426 4
Mid Mid (pH 6-8) 3.01 6.71 -30.69 2 3 1 26 255.426 4

Activity (Go SEA)

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