UCSF

ZINC43259170

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) 4.31 5.85 -42.08 3 2 1 31 334.347 8
Hi High (pH 8-9.5) 4.31 6.13 -1.04 2 2 0 29 333.339 8
Mid Mid (pH 6-8) 4.31 7.91 -31.56 3 2 1 30 334.347 8
Mid Mid (pH 6-8) 4.31 8.24 -114.84 4 2 2 32 335.355 8

Activity (Go SEA)

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