UCSF

ZINC35281237

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 32 No

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) 2.54 9.15 -63.03 0 8 -1 105 436.44 8
Mid Mid (pH 6-8) 2.54 8.27 -17.01 1 8 0 102 437.448 8

Activity (Go SEA)

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