UCSF

ZINC43915633

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) 0.20 0.59 -37.19 2 4 1 38 203.306 5
Hi High (pH 8-9.5) 0.20 -0.6 -2.32 1 4 0 34 202.298 5
Mid Mid (pH 6-8) 0.20 1.33 -31.54 2 4 1 35 203.306 5

Activity (Go SEA)

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