UCSF

ZINC34991380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.34 7.38 -35.99 2 4 1 49 276.404 10
Mid Mid (pH 6-8) 2.34 6.61 -41.86 2 4 1 53 276.404 10

Activity (Go SEA)

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