UCSF

ZINC42944754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 16 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) 2.72 7.24 -120.61 4 2 2 32 242.794 5
Hi High (pH 8-9.5) 2.72 5.47 -38.74 3 2 1 31 241.786 5
Mid Mid (pH 6-8) 2.72 6.92 -36.33 3 2 1 30 241.786 5

Activity (Go SEA)

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