UCSF

ZINC05408956

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.71 9.06 -41.29 0 5 -1 73 349.41 5
Mid Mid (pH 6-8) 3.16 7.02 -27.37 1 5 0 71 350.418 4
Lo Low (pH 4.5-6) 3.16 1.1 -44.62 2 5 1 71 351.426 4

Activity (Go SEA)

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