UCSF

ZINC14414956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2008 23 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) 2.27 8.47 -69.98 0 4 -1 50 325.413 3
Mid Mid (pH 6-8) 1.54 8.91 -40.64 1 4 0 53 326.421 3

Activity (Go SEA)

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