UCSF

ZINC42944759

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 7.26 -120.96 4 2 2 32 242.794 5
Hi High (pH 8-9.5) 2.72 4.32 -42.52 3 2 1 31 241.786 5
Mid Mid (pH 6-8) 2.72 6.82 -32.76 3 2 1 30 241.786 5

Activity (Go SEA)

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