UCSF

ZINC33742718

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 7.37 13.94 -27.24 2 5 1 49 458.626 9
Mid Mid (pH 6-8) 7.37 13.91 -47.99 2 5 1 52 458.626 9
Mid Mid (pH 6-8) 7.37 13.52 -18.81 1 5 0 48 457.618 9
Lo Low (pH 4.5-6) 7.37 14.32 -99.16 3 5 2 54 459.634 9

Activity (Go SEA)

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