UCSF

ZINC37932871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 12 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) -0.11 3.57 -44.94 1 4 0 48 174.244 6
Mid Mid (pH 6-8) -0.11 6.04 -101.2 2 4 1 49 175.252 6
Mid Mid (pH 6-8) -0.11 3.74 -60.87 1 4 0 48 174.244 6

Activity (Go SEA)

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