UCSF

ZINC04005761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 32 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) 5.85 14 -13.25 2 4 0 65 437.568 6
Mid Mid (pH 6-8) 6.18 -0.48 -9.58 1 4 0 65 437.568 6
Mid Mid (pH 6-8) 6.37 1.07 -16.06 1 4 0 65 437.568 6
Mid Mid (pH 6-8) 6.37 -0.81 -9.93 1 4 0 65 437.568 6

Activity (Go SEA)

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