UCSF

ZINC43916565

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 3.23 -29.93 2 3 1 29 203.35 8
Hi High (pH 8-9.5) 1.65 2.15 -1.76 1 3 0 24 202.342 8
Mid Mid (pH 6-8) 1.65 4.22 -30.38 2 3 1 26 203.35 8

Activity (Go SEA)

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