UCSF

ZINC34967073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 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) 3.74 9.47 -16.74 0 6 0 55 426.538 6
Mid Mid (pH 6-8) 3.74 11.68 -56.18 1 6 1 56 427.546 6

Activity (Go SEA)

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