UCSF

ZINC18061571

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 4.12 5.51 -15.32 2 7 0 111 341.348 3
Mid Mid (pH 6-8) 3.63 5.45 -44.58 1 7 -1 110 340.34 4
Lo Low (pH 4.5-6) 3.63 5.97 -18.17 2 7 0 108 341.348 4

Activity (Go SEA)

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