UCSF

ZINC02917893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 26 Yes

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) 3.30 10.47 -13.62 0 6 0 62 352.369 4
Mid Mid (pH 6-8) 3.31 11.97 -49.66 2 6 1 66 353.377 4
Lo Low (pH 4.5-6) 3.30 10.79 -38.22 1 6 1 63 353.377 4

Activity (Go SEA)

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