UCSF

ZINC43916562

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.65 3.75 -36.03 2 3 1 29 203.35 8
Hi High (pH 8-9.5) 1.65 2.66 -1.16 1 3 0 24 202.342 8
Mid Mid (pH 6-8) 1.65 4.34 -28.7 2 3 1 26 203.35 8

Activity (Go SEA)

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