UCSF

ZINC04537368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 27 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) 1.90 7.69 -62.78 0 6 -1 83 365.409 6
Mid Mid (pH 6-8) 1.31 -0.24 -19.83 0 6 0 76 366.417 6
Mid Mid (pH 6-8) 2.34 -0.62 -23.79 1 6 0 79 366.417 5
Lo Low (pH 4.5-6) 2.34 -0.04 -50.88 2 6 1 80 367.425 5

Activity (Go SEA)

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