UCSF

ZINC43247437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.03 5.85 -40.72 3 2 1 31 267.462 3
Hi High (pH 8-9.5) 3.03 5.66 -1.35 2 2 0 29 266.454 3
Mid Mid (pH 6-8) 3.03 7.38 -29.03 3 2 1 30 267.462 3
Mid Mid (pH 6-8) 3.03 7.69 -110.22 4 2 2 32 268.47 3

Activity (Go SEA)

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