UCSF

ZINC31808928

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 23 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) 2.54 5.44 -42.2 2 4 1 40 320.501 1
Mid Mid (pH 6-8) 2.54 6.66 -40.45 2 4 1 37 320.501 1
Mid Mid (pH 6-8) 2.54 7.65 -113.11 3 4 2 41 321.509 1

Activity (Go SEA)

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