UCSF

ZINC14183311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2008 25 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) 2.46 8.27 -47.01 2 6 1 59 341.435 5
Mid Mid (pH 6-8) 2.46 5.8 -15.18 1 6 0 58 340.427 5

Activity (Go SEA)

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