UCSF

ZINC34372984

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 0.79 4.78 -83.96 4 3 2 47 201.273 1
Hi High (pH 8-9.5) 0.79 2.96 -7.24 2 3 0 41 199.257 1
Mid Mid (pH 6-8) 0.79 4.32 -45.86 3 3 1 45 200.265 1

Activity (Go SEA)

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