UCSF

ZINC35767417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 34 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) 3.03 11 -17.29 0 7 0 66 473.589 12
Mid Mid (pH 6-8) 3.03 13.27 -49.69 1 7 1 67 474.597 12

Activity (Go SEA)

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