UCSF

ZINC05408810

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 25 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) 1.78 4.16 -59.82 1 6 -1 88 338.339 5
Mid Mid (pH 6-8) 2.23 -1.76 -18.03 2 6 0 84 339.347 4
Mid Mid (pH 6-8) 1.20 -1.71 -22.54 1 6 0 81 339.347 5

Activity (Go SEA)

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