UCSF

ZINC26388594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 30 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) 0.84 10.74 -87.92 1 6 0 70 417.456 4
Mid Mid (pH 6-8) -1.91 9.79 -63.03 2 6 1 73 418.464 3

Activity (Go SEA)

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