UCSF

ZINC34581434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.79 9.62 -25.75 1 2 1 17 285.798 2
Mid Mid (pH 6-8) 3.79 8.81 -3.84 0 2 0 16 284.79 2

Activity (Go SEA)

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