UCSF

ZINC18208673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 24 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) 2.95 5.19 -55.03 1 5 -1 78 387.209 4
Mid Mid (pH 6-8) 2.37 4.82 -10.05 1 5 0 72 388.217 4
Lo Low (pH 4.5-6) 2.95 4.37 -12.89 2 5 0 76 388.217 4

Activity (Go SEA)

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