UCSF

ZINC39327876

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) 1.06 3.15 -11.32 3 5 0 81 298.371 3
Mid Mid (pH 6-8) 1.06 3.55 -36.08 4 5 1 82 299.379 3
Lo Low (pH 4.5-6) 1.06 4.02 -78.26 5 5 2 83 300.387 3

Activity (Go SEA)

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