UCSF

ZINC41934655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 17 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) 2.59 6.61 -6.23 1 3 0 42 250.729 4
Mid Mid (pH 6-8) 2.66 4.24 -4.48 1 3 0 45 250.729 4

Activity (Go SEA)

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