UCSF

ZINC37079728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.98 3.74 -40.58 3 2 1 31 199.362 6
Mid Mid (pH 6-8) 1.98 5.6 -26.3 3 2 1 30 199.362 6
Mid Mid (pH 6-8) 1.98 5.5 -109.58 4 2 2 32 200.37 6

Activity (Go SEA)

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