UCSF

ZINC43437459

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 2.62 5.28 -115.22 5 2 2 44 202.386 6
Hi High (pH 8-9.5) 2.62 4.84 -40.28 4 2 1 40 201.378 6
Mid Mid (pH 6-8) 2.62 4.97 -31.05 4 2 1 43 201.378 6

Activity (Go SEA)

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