UCSF

ZINC68584348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2011 20 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) 2.24 5.97 -42.06 4 3 1 57 275.416 4
Mid Mid (pH 6-8) 2.24 5.68 -6.6 3 3 0 55 274.408 4

Activity (Go SEA)

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