UCSF

ZINC25460102

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 4.09 11.84 -14.19 2 9 0 109 491.573 9
Mid Mid (pH 6-8) 4.54 11 -52.99 1 9 -1 112 490.565 9

Activity (Go SEA)

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