UCSF

ZINC36708951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 21 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) 2.10 8.35 -9.99 0 5 0 47 287.363 8
Mid Mid (pH 6-8) 2.10 8.71 -26.74 1 5 1 49 288.371 8

Activity (Go SEA)

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