UCSF

ZINC19358968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 2.26 5.19 -50.26 2 6 1 56 357.43 5
Mid Mid (pH 6-8) 2.26 5.13 -49.97 2 6 1 56 357.43 5
Mid Mid (pH 6-8) 2.26 2.81 -12.49 1 6 0 54 356.422 5

Activity (Go SEA)

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