UCSF

ZINC21262357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 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) 3.10 12.18 -37.02 1 5 1 37 352.506 4
Mid Mid (pH 6-8) 3.10 9.97 -6.62 0 5 0 35 351.498 4
Lo Low (pH 4.5-6) 3.10 12.5 -90.4 2 5 2 38 353.514 4

Activity (Go SEA)

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