UCSF

ZINC00809574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 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) 3.09 8.06 -45.84 2 6 1 55 354.43 4
Mid Mid (pH 6-8) 3.09 5.84 -12.72 1 6 0 54 353.422 4

Activity (Go SEA)

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