UCSF

ZINC00796006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 28 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) 1.97 0.16 -13.36 1 6 0 83 374.396 5
Mid Mid (pH 6-8) 1.38 -0.02 -19.76 0 6 0 80 374.396 5
Lo Low (pH 4.5-6) 2.41 -0.1 -69.77 2 6 1 84 375.404 4

Activity (Go SEA)

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