UCSF

ZINC27553733

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 26 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) 2.89 11.25 -68.74 0 5 -1 65 353.442 3
Mid Mid (pH 6-8) 0.14 10.29 -25.93 1 5 0 68 354.45 2

Activity (Go SEA)

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