UCSF

ZINC04738428

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 26 No

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) 2.69 6.62 -19.81 2 9 0 129 354.322 5
Ref Reference (pH 7) 2.69 6.5 -21.71 2 9 0 129 354.322 5
Mid Mid (pH 6-8) 3.14 4.62 -46.73 1 9 -1 132 353.314 5
Mid Mid (pH 6-8) 3.14 4.88 -38.34 1 9 -1 132 353.314 5

Activity (Go SEA)

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