UCSF

ZINC41598392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 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) 1.11 5 -15.63 2 6 0 88 300.314 5
Mid Mid (pH 6-8) 1.36 0.83 -32.32 3 6 1 97 301.322 5

Activity (Go SEA)

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