UCSF

ZINC34676337

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 0.73 4.06 -24.67 2 10 0 109 482.585 9
Mid Mid (pH 6-8) 0.73 6.34 -59.85 3 10 1 110 483.593 9

Activity (Go SEA)

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